data_2lxs_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 2lxs _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 ' 594' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . 0.433 HG12 HD22 ' A' ' 599' ' ' LEU . 87.7 t -136.3 131.91 48.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 170.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.54 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.1 t -89.27 153.43 20.91 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.206 178.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.85 -39.54 81.59 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.85 -40.7 89.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.113 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.54 ' H ' HG23 ' A' ' 596' ' ' THR . 23.6 tp -56.1 -49.93 72.46 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 120.914 0.388 . . . . 0.0 110.495 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 600' ' ' ARG . 45.3 mtm180 -64.0 -48.99 74.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.293 -178.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 15.6 p -64.83 -40.12 94.67 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.552 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -60.38 -49.36 77.88 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.24 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.56 -38.44 89.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.737 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 37.9 t -63.87 -45.02 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.351 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -64.79 -39.72 94.06 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -57.56 -41.54 81.22 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.574 175.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.63 -49.89 74.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.859 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 89.5 t -58.87 -47.48 89.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.107 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -60.19 -39.43 86.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.19 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.74 -38.94 73.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.13 0.491 . . . . 0.0 110.416 175.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 33.7 mt -77.0 -31.58 18.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.558 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -155.71 97.57 2.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -175.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -81.06 -33.5 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.43 2.087 . . . . 0.0 113.726 -171.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 19.7 p -75.79 111.56 15.29 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.903 -0.135 . . . . 0.0 111.285 -176.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.54 88.15 1.47 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.992 2.462 . . . . 0.0 112.129 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -82.35 123.42 79.1 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.754 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.88 -27.41 78.47 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.082 2.521 . . . . 0.0 113.467 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.69 -52.22 6.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.614 0.245 . . . . 0.0 110.406 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -57.45 -29.16 63.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.593 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.591 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -61.72 -31.98 72.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.348 0.594 . . . . 0.0 110.267 177.684 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -99.03 16.39 22.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.694 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -100.58 136.61 40.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.033 0.444 . . . . 0.0 110.566 -176.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -56.05 -38.07 70.11 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.503 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -61.92 -40.73 96.49 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.736 0.303 . . . . 0.0 110.341 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.591 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 42.7 ttm -63.95 -38.81 92.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.167 175.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -63.45 -38.77 92.42 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.574 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -40.49 88.57 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.999 0.428 . . . . 0.0 110.141 176.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -39.73 84.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.714 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 625' ' ' MET . 77.6 t -64.55 -42.14 94.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.156 0.503 . . . . 0.0 109.889 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.43 88.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.185 175.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.81 -38.93 87.08 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.334 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.97 98.4 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.733 0.302 . . . . 0.0 110.546 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -38.94 92.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.886 0.374 . . . . 0.0 110.83 174.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -56.81 -45.51 82.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.152 175.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.617 ' O ' ' HG2' ' A' ' 639' ' ' MET . 7.0 t -54.95 -46.61 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.893 172.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -55.73 -43.18 76.32 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.893 0.377 . . . . 0.0 110.604 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.27 -44.72 96.57 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.793 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.54 -42.15 95.91 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.631 -0.335 . . . . 0.0 111.787 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.617 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.9 mmt -62.95 -37.9 88.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.181 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -49.77 -37.29 29.23 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -169.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.0 -51.3 59.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.146 0.885 . . . . 0.0 110.754 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 642' ' ' SER . . . . . 0.476 ' C ' ' H ' ' A' ' 644' ' ' ASN . 8.3 t -66.01 -39.87 90.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.579 177.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . 0.49 ' C ' ' H ' ' A' ' 645' ' ' SER . . . -57.58 20.17 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.476 ' H ' ' C ' ' A' ' 642' ' ' SER . 0.2 OUTLIER -75.6 26.65 0.11 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 118.294 0.497 . . . . 0.0 110.605 -177.234 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 645' ' ' SER . . . . . 0.49 ' H ' ' C ' ' A' ' 643' ' ' ALA . 68.6 m -161.09 143.67 12.51 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.358 0.663 . . . . 0.0 109.553 178.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -55.82 -50.8 69.54 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -173.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.0 -43.93 97.8 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 111.03 -176.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -56.01 -49.26 74.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.56 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -58.53 -49.15 78.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.559 -175.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.93 -40.68 91.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 110.415 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -67.06 -41.45 86.41 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.288 -173.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.631 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 63.4 mt -57.08 -52.28 65.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.425 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 657' ' ' ILE . 6.6 mt -65.8 -49.72 67.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.504 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.26 95.24 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -57.63 -46.67 83.84 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.019 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.631 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 43.8 mmtm -64.29 -39.88 94.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.519 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 653' ' ' LEU . 72.8 mt -58.91 -45.62 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.748 0.308 . . . . 0.0 110.705 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -64.86 -39.47 93.6 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 3.9 tppp? -58.19 -48.82 79.14 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.647 175.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.47 -41.97 94.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.864 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -65.05 -39.48 93.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.255 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -65.38 -40.61 93.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.48 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 6.4 mm-40 -57.26 -48.61 78.43 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.234 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.458 HD22 ' SD ' ' B' ' 850' ' ' MET . 82.3 mt -60.24 -49.38 77.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.431 -177.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -65.9 -43.38 88.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 0.0 110.804 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.753 -177.304 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' B' ' 846' ' ' PRO . 2.0 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.818 0.342 . . . . 0.0 111.856 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 845' ' ' LEU . 23.7 Cg_exo -63.89 162.39 29.05 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 123.091 2.527 . . . . 0.0 112.427 177.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 24.3 m -55.02 -49.21 72.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.89 -44.14 86.52 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -172.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 23.9 mm -65.16 -41.76 92.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.388 0.613 . . . . 0.0 110.013 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.458 ' SD ' HD22 ' A' ' 664' ' ' LEU . 2.6 mmt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.112 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 97.4 t -138.98 133.83 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.555 HG22 ' H ' ' A' ' 599' ' ' LEU . 5.4 t -87.4 147.61 25.37 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 176.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -60.03 -38.37 82.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.421 0.629 . . . . 0.0 109.946 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -57.43 -39.74 76.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.901 177.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.555 ' H ' HG22 ' A' ' 596' ' ' THR . 17.8 tp -57.85 -50.36 73.56 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.861 0.362 . . . . 0.0 110.837 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.478 ' HD2' ' OE2' ' A' ' 636' ' ' GLU . 48.6 mtm180 -64.19 -48.14 77.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.079 -177.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 15.4 p -64.75 -40.02 94.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.632 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . 0.445 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 16.0 t-80 -57.53 -48.75 78.44 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.536 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.436 HD11 HD12 ' A' ' 653' ' ' LEU . 30.7 mt -63.79 -37.63 88.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.189 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 39.3 t -58.5 -47.67 87.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.519 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -64.95 -38.51 91.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.925 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 602' ' ' HIS . 28.0 mtpp -59.69 -40.49 88.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.983 0.42 . . . . 0.0 110.449 176.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 9.8 tt -63.54 -46.49 85.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.813 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.401 HG13 HD13 ' A' ' 628' ' ' LEU . 95.4 t -56.51 -43.76 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.972 172.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.23 -39.01 81.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.664 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.75 -39.76 92.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 28.2 mt -78.63 -33.44 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.541 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -147.14 88.95 5.69 Favored Pre-proline 0 N--CA 1.451 -0.422 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -173.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -74.59 -35.05 3.85 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 121.855 1.703 . . . . 0.0 112.939 -173.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 25.5 p -64.68 112.71 8.53 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.32 73.08 6.19 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.102 2.535 . . . . 0.0 111.591 177.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -90.13 126.48 56.89 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -57.74 -34.02 97.61 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.021 2.48 . . . . 0.0 113.251 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.49 -45.63 25.0 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.075 -0.391 . . . . 0.0 110.357 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -57.05 -33.01 66.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.336 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.444 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -61.17 -33.85 74.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.148 0.499 . . . . 0.0 110.798 177.227 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -103.38 18.12 22.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.795 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . 0.618 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 15.0 t0 -99.55 134.42 42.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.052 -175.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -54.91 -37.51 66.46 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.86 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.618 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 11.1 ttp180 -53.6 -49.19 68.32 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.087 0.242 . . . . 0.0 111.035 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.615 ' O ' HG23 ' A' ' 629' ' ' VAL . 50.3 ttm -64.95 -40.61 95.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.65 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.43 -39.17 93.32 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.598 0.237 . . . . 0.0 110.825 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.07 -47.13 87.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.747 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.2 pp -68.14 -37.75 81.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.382 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 625' ' ' MET . 97.8 t -64.54 -39.54 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 121.181 0.515 . . . . 0.0 110.079 177.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -55.88 -38.16 69.8 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.625 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -64.89 -37.35 87.33 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . 0.487 ' O ' ' HB ' ' A' ' 635' ' ' VAL . . . -61.9 -39.79 93.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.943 0.402 . . . . 0.0 110.169 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -39.99 94.71 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.892 174.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 634' ' ' LYS . 13.2 tmtt? -57.69 -40.84 80.37 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.647 ' O ' ' HG2' ' A' ' 639' ' ' MET . 23.5 t -54.96 -50.46 62.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.619 175.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.478 ' OE2' ' HD2' ' A' ' 600' ' ' ARG . 10.8 tp10 -59.03 -48.57 81.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.726 0.298 . . . . 0.0 110.94 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.4 -45.38 96.3 Favored Glycine 0 C--N 1.328 0.12 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.355 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.22 -49.42 72.02 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 122.556 0.343 . . . . 0.0 111.485 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.647 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.8 mmt -59.38 -37.27 77.54 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.985 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -48.39 -36.26 14.31 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -170.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.81 -51.09 64.03 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 119.668 -0.813 . . . . 0.0 110.671 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 642' ' ' SER . . . . . 0.503 ' C ' ' H ' ' A' ' 644' ' ' ASN . 21.9 t -67.31 -40.17 85.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.126 176.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -56.62 20.48 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.503 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.1 t-20 -69.68 -0.97 7.77 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 118.097 0.408 . . . . 0.0 110.495 -177.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 44.5 p -135.81 147.75 48.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.638 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -55.4 -50.04 70.78 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.49 -43.36 99.01 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.016 -176.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 6.7 tp10 -58.69 -48.09 82.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.19 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -55.61 -49.2 73.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.913 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -66.82 -40.47 88.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.144 0.497 . . . . 0.0 110.865 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -43.9 86.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.708 -173.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.499 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 93.4 mt -58.86 -49.33 78.15 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.027 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.436 HD12 HD11 ' A' ' 603' ' ' LEU . 15.5 mt -64.7 -47.8 77.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.548 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.03 -49.09 74.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.693 0.283 . . . . 0.0 111.637 -176.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -60.94 -46.28 91.33 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.352 0.596 . . . . 0.0 110.031 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.59 ' HB2' ' HZ3' ' A' ' 656' ' ' LYS . 0.1 OUTLIER -64.66 -44.78 89.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.937 -172.622 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.28 -41.19 91.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.772 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.49 -38.07 88.67 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.25 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -57.43 -46.39 83.61 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.88 0.371 . . . . 0.0 110.828 177.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.545 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 0.8 OUTLIER -61.11 -37.91 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.91 177.315 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -64.62 -38.59 91.52 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . 0.492 ' HZ1' ' HB2' ' A' ' 662' ' ' LYS . 0.4 OUTLIER -64.86 -39.41 93.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.132 178.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -59.96 -40.81 90.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.85 174.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 63.1 mt -57.4 -43.18 83.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.954 0.407 . . . . 0.0 109.981 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -61.5 -48.5 80.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.482 176.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.795 -174.734 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.458 HD11 ' HG3' ' A' ' 656' ' ' LYS . 3.7 mp . . . . . 0 C--O 1.233 0.211 0 CA-C-O 119.868 -0.11 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -30.9 117.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 124.971 3.781 . . . . 0.0 114.511 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.9 m -55.42 -39.61 70.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.315 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -56.06 -44.56 79.0 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.365 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 26.9 mm -64.28 -42.13 94.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.039 0.447 . . . . 0.0 110.115 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.496 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.47 0.549 0 CA-C-O 120.973 0.416 . . . . 0.0 111.923 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . 0.429 HG11 HD23 ' A' ' 599' ' ' LEU . 9.4 t -134.27 131.08 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 168.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.514 HG21 ' H ' ' A' ' 599' ' ' LEU . 5.4 t -88.72 154.83 19.98 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.234 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -64.26 -39.97 95.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.968 0.413 . . . . 0.0 109.943 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -55.89 -40.68 73.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.884 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.514 ' H ' HG21 ' A' ' 596' ' ' THR . 16.6 tp -56.28 -48.1 77.29 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.243 0.544 . . . . 0.0 110.273 177.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -64.41 -49.75 70.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.666 -174.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 8.8 p -66.08 -39.38 89.99 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.04 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -59.05 -45.92 89.55 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.034 0.445 . . . . 0.0 110.092 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 653' ' ' LEU . 67.7 mt -63.85 -37.99 89.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.668 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.85 -42.2 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.889 0.376 . . . . 0.0 110.518 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -63.79 -38.91 92.86 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.17 -41.02 91.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.77 0.319 . . . . 0.0 110.851 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.54 -43.78 92.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.211 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.41 HG11 HD13 ' A' ' 628' ' ' LEU . 91.4 t -61.65 -43.98 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.102 0.477 . . . . 0.0 110.601 175.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.64 -38.63 85.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.897 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.8 83.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.654 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 23.2 mt -77.25 -31.54 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.684 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -150.28 99.81 3.21 Favored Pre-proline 0 C--N 1.326 -0.437 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.31 -174.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -79.6 -34.97 0.88 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.005 1.804 . . . . 0.0 113.294 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 7.5 p -81.11 112.0 28.97 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -82.55 77.1 3.84 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.118 2.545 . . . . 0.0 111.787 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -74.15 126.53 89.08 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.838 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.88 -27.38 72.13 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.15 2.567 . . . . 0.0 113.7 -175.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -86.64 -50.07 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -56.9 -27.75 61.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.403 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.404 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -62.6 -30.36 71.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.753 178.543 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -101.97 16.28 26.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.705 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -99.73 136.84 39.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.26 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.81 -36.93 65.48 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.965 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -53.89 -46.97 71.53 Favored 'General case' 0 C--O 1.233 0.185 0 O-C-N 123.07 0.232 . . . . 0.0 110.969 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.565 ' O ' HG21 ' A' ' 629' ' ' VAL . 51.0 ttm -65.1 -40.46 94.59 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.644 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.39 -38.93 91.48 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.749 0.309 . . . . 0.0 110.704 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.49 -44.68 95.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 177.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.0 OUTLIER -67.33 -37.74 83.8 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 178.411 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.565 HG21 ' O ' ' A' ' 625' ' ' MET . 80.9 t -63.04 -40.08 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.961 0.41 . . . . 0.0 110.069 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.461 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -55.92 -39.34 71.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.083 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -63.52 -36.93 85.39 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.383 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.89 -40.62 85.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.803 0.335 . . . . 0.0 110.321 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -40.37 94.96 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.892 175.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 75.3 mmtt -59.05 -41.61 88.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.258 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.671 ' O ' ' HG2' ' A' ' 639' ' ' MET . 11.5 t -54.78 -50.15 63.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.731 172.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -56.08 -44.15 78.68 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.54 -48.7 74.59 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.609 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.45 -46.74 84.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.76 0.28 . . . . 0.0 111.529 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.671 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.9 mmt -64.05 -37.72 88.47 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.002 -177.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -48.88 -38.05 21.45 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.122 0.889 . . . . 0.0 113.099 -167.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.33 -51.42 57.49 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.685 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 642' ' ' SER . . . . . 0.493 ' C ' ' H ' ' A' ' 644' ' ' ASN . 23.3 t -66.49 -38.86 88.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.299 177.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.29 20.51 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.493 ' H ' ' C ' ' A' ' 642' ' ' SER . 1.9 t30 -87.89 23.13 2.12 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 49.3 m -150.82 133.16 15.48 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.071 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -55.33 -51.63 66.13 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -170.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.37 -40.53 97.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.999 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.2 tp10 -59.13 -49.36 78.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.148 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -55.86 -48.67 75.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.158 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -63.61 -41.72 98.28 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 120.752 0.31 . . . . 0.0 111.567 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -66.2 -45.07 82.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.449 -172.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.648 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 80.7 mt -57.24 -50.01 74.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.044 -177.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.463 ' CD1' HD12 ' A' ' 603' ' ' LEU . 7.2 mt -64.94 -48.25 74.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.749 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.96 -45.22 78.93 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 123.107 0.254 . . . . 0.0 111.468 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -57.12 -45.7 83.23 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.703 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 46.6 mmtm -66.12 -41.59 90.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.549 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.13 -49.97 82.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 0.0 110.649 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -64.91 -37.78 88.77 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.471 ' HZ2' ' HB2' ' A' ' 659' ' ' LYS . 0.7 OUTLIER -57.67 -49.3 76.95 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.816 0.341 . . . . 0.0 110.817 179.173 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.622 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 1.0 OUTLIER -62.44 -38.93 82.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 177.689 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -64.23 -38.09 89.81 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.183 0.516 . . . . 0.0 109.721 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -63.99 -40.62 96.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.026 177.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 25.1 mm-40 -63.91 -44.32 93.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.832 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 71.9 mt -55.62 -48.53 74.77 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.0 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.94 -40.39 96.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.714 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.189 -176.526 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.493 HD13 HG13 ' A' ' 660' ' ' ILE . 2.8 mp . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -46.37 126.02 9.65 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 124.105 3.204 . . . . 0.0 114.175 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 9.4 p -54.75 -35.98 64.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.412 -1.267 . . . . 0.0 111.11 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -52.92 -45.45 67.6 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.527 -175.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 37.3 mm -65.49 -39.72 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.509 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.208 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 . . . . . 0 N--CA 1.472 0.651 0 CA-C-O 121.396 0.617 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 55.3 t -136.98 134.1 47.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.394 172.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.509 HG22 ' H ' ' A' ' 599' ' ' LEU . 4.2 t -94.55 151.57 19.23 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.218 -177.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -56.39 -40.46 74.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.28 0.562 . . . . 0.0 110.3 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.56 -39.0 79.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.628 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.587 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 17.8 tp -55.27 -51.77 65.58 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-O 120.613 0.244 . . . . 0.0 111.239 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 604' ' ' VAL . 78.9 mtm180 -58.86 -50.68 73.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.983 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 6.1 p -64.25 -38.59 91.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.846 0.355 . . . . 0.0 110.939 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -57.7 -49.25 77.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.171 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 33.4 mt -64.06 -40.11 95.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.506 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 600' ' ' ARG . 71.6 t -57.9 -49.31 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.565 0.221 . . . . 0.0 110.643 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -60.83 -39.6 89.64 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.961 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.11 -40.95 97.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.976 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.91 -45.26 86.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.467 HG13 HD12 ' A' ' 628' ' ' LEU . 54.4 t -55.88 -44.28 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.468 173.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.23 -39.83 80.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.34 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.64 98.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.841 0.353 . . . . 0.0 110.811 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 43.8 mt -70.98 -33.15 50.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.953 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -156.73 91.99 2.47 Favored Pre-proline 0 CA--C 1.534 0.333 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -172.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -80.04 -9.2 14.23 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.676 2.251 . . . . 0.0 113.949 -171.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 28.5 p -99.38 109.73 55.86 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.032 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -75.44 55.32 4.14 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 123.131 2.554 . . . . 0.0 112.223 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.64 123.29 84.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.894 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -57.97 -40.05 81.05 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.25 2.633 . . . . 0.0 113.675 -173.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -68.4 -41.46 80.42 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.22 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.77 87.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.471 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.522 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -48.39 -32.64 7.89 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.59 170.469 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -97.93 16.73 20.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.668 0.27 . . . . 0.0 111.545 -177.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -94.69 137.3 33.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.014 0.435 . . . . 0.0 110.579 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -60.96 -35.89 77.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.154 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -61.47 -38.86 88.78 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.207 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.522 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 45.4 ttm -58.9 -37.87 77.6 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.926 175.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.51 -40.23 82.28 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -63.25 -43.52 97.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.891 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 625' ' ' MET . 0.6 OUTLIER -67.48 -39.72 85.26 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.614 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.473 HG21 ' O ' ' A' ' 625' ' ' MET . 92.1 t -59.65 -42.72 89.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.321 176.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.85 90.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.934 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -64.47 -41.24 96.61 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.604 0.24 . . . . 0.0 110.547 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.77 96.58 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.658 0.266 . . . . 0.0 110.584 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.542 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -60.96 -40.27 92.71 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.242 175.33 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -59.36 -41.48 89.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.109 0.48 . . . . 0.0 110.111 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.556 ' O ' ' HG2' ' A' ' 639' ' ' MET . 38.8 t -60.89 -49.98 82.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.323 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 640' ' ' TYR . 2.8 pt-20 -54.74 -38.67 67.44 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.04 -50.76 56.07 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.092 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.5 -46.29 83.61 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.989 0.423 . . . . 0.0 111.054 -177.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.557 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 17.3 mmt -62.56 -35.78 80.56 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.928 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.566 ' HB2' ' O ' ' A' ' 636' ' ' GLU . 6.2 t80 -47.89 -38.19 15.83 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.505 1.128 . . . . 0.0 112.437 -173.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -66.44 -50.32 63.77 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.638 0.654 . . . . 0.0 111.083 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 642' ' ' SER . . . . . 0.512 ' C ' ' H ' ' A' ' 644' ' ' ASN . 16.1 m -65.88 -38.62 89.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.569 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -48.1 20.62 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.512 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.8 t-20 -69.56 -5.09 22.07 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.635 -0.666 . . . . 0.0 110.181 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 18.6 m -139.16 141.98 38.0 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -49.15 73.55 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.061 0.226 . . . . 0.0 111.332 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -60.73 -42.3 97.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.971 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -60.33 -48.24 82.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.612 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.06 -48.74 77.82 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.534 -176.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -65.6 -37.23 86.04 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.584 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -63.78 -49.12 74.19 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.956 0.408 . . . . 0.0 110.191 -175.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.557 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 76.7 mt -58.07 -49.77 75.77 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.427 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.528 ' O ' HG13 ' A' ' 657' ' ' ILE . 8.3 mt -65.73 -48.21 72.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.727 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.18 85.09 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -57.13 -47.91 79.97 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.413 177.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.408 ' HE3' ' CG2' ' A' ' 635' ' ' VAL . 23.1 ttmm -59.25 -40.65 86.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.798 178.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 653' ' ' LEU . 63.3 mt -65.82 -43.25 93.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.763 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -65.31 -38.58 90.63 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.036 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 663' ' ' GLU . 73.6 mmtt -57.37 -40.32 77.9 Favored 'General case' 0 CA--C 1.524 -0.043 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.78 175.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.508 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 0.1 OUTLIER -56.22 -38.58 55.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.378 173.783 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -67.31 -39.67 85.94 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.482 0.658 . . . . 0.0 109.315 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 666' ' ' GLU . 28.8 tptp -65.36 -43.68 90.04 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.74 178.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 659' ' ' LYS . 31.1 mt-10 -64.69 -45.61 85.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.387 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 96.1 mt -55.51 -40.18 71.43 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.084 0.469 . . . . 0.0 109.805 176.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.56 -49.49 76.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.852 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 662' ' ' LYS . 62.9 mm-40 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.014 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.422 ' CD1' HG13 ' A' ' 660' ' ' ILE . 5.8 mp . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.512 0.196 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.89 127.7 17.45 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.082 1.855 . . . . 0.0 111.424 172.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 50.7 m -54.76 -37.93 66.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.635 -176.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -56.77 -39.72 74.56 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.488 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.79 -40.3 88.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.435 0.636 . . . . 0.0 109.438 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.428 ' HE2' ' HA ' ' B' ' 850' ' ' MET . 32.3 mmt . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.661 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 . . . . . 0 N--CA 1.472 0.661 0 N-CA-C 111.552 0.205 . . . . 0.0 111.552 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 38.9 t -143.53 135.21 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 122.255 0.222 . . . . 0.0 110.541 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.482 HG22 ' H ' ' A' ' 599' ' ' LEU . 8.0 t -94.08 165.24 12.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.649 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -64.16 -44.64 91.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.929 0.395 . . . . 0.0 110.456 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.36 -40.13 77.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.365 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 18.6 tp -55.63 -49.95 71.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.975 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.495 ' O ' HG22 ' A' ' 604' ' ' VAL . 36.6 mtm180 -62.01 -49.52 75.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.237 -176.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' SER . . . . . 0.433 ' O ' ' HD2' ' A' ' 605' ' ' HIS . 9.8 p -65.3 -39.84 93.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.986 -177.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -60.54 -45.88 92.25 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.527 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 56.2 mt -61.42 -37.54 83.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.233 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 600' ' ' ARG . 76.7 t -59.26 -41.34 83.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.433 ' HD2' ' O ' ' A' ' 601' ' ' SER . 17.3 m-70 -64.29 -38.69 91.94 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -58.12 -42.08 85.0 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.689 176.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 8.8 tt -65.55 -50.04 66.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.29 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 99.5 t -56.12 -41.59 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.041 175.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -55.91 -40.01 72.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.744 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.74 93.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.62 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.4 mt -82.63 -30.66 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.641 0.258 . . . . 0.0 110.596 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -155.09 91.22 2.92 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.33 . . . . 0.0 110.362 -174.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -80.67 -35.21 0.58 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.153 1.902 . . . . 0.0 112.602 -176.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 22.9 p -62.27 114.13 10.82 Favored Pre-proline 0 C--N 1.33 -0.269 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -79.52 75.14 5.21 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.072 2.515 . . . . 0.0 111.465 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -82.18 121.82 79.01 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.609 176.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.6 -25.77 79.96 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.144 2.562 . . . . 0.0 113.159 -175.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.19 -48.06 10.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.751 0.31 . . . . 0.0 110.18 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -58.71 -30.47 67.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.384 175.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -32.46 71.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.19 0.519 . . . . 0.0 110.024 177.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -100.15 16.85 22.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.18 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -95.02 127.55 41.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.06 0.457 . . . . 0.0 110.497 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -55.8 -37.31 68.46 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.911 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -64.13 -37.71 88.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.128 -0.229 . . . . 0.0 111.258 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 39.3 ttm -55.19 -38.02 67.82 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.642 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -56.36 -38.45 71.43 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.972 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -60.41 -44.21 95.94 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.989 0.423 . . . . 0.0 110.357 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.78 -40.76 88.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.621 -178.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 52.1 t -65.77 -42.13 91.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 121.319 0.58 . . . . 0.0 110.075 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.25 92.75 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.836 177.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -63.97 -38.14 90.0 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.64 77.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.274 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -39.93 92.54 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.106 174.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -57.03 -46.85 82.07 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.737 0.303 . . . . 0.0 110.455 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.705 ' O ' ' HG2' ' A' ' 639' ' ' MET . 9.8 t -54.94 -50.34 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.779 175.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -57.02 -41.51 78.68 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.786 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.82 -47.77 79.41 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.727 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.46 -44.0 96.32 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.902 0.382 . . . . 0.0 111.301 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.705 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.6 mmt -57.61 -35.89 71.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.665 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -50.82 -35.41 32.13 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.293 -0.867 . . . . 0.0 113.205 -171.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.6 -50.85 69.65 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.953 0.797 . . . . 0.0 109.927 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 642' ' ' SER . . . . . 0.537 ' C ' ' H ' ' A' ' 644' ' ' ASN . 14.9 m -65.15 -37.57 87.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.578 177.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -54.6 20.52 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.537 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.8 t-20 -68.31 -1.87 7.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.01 0.433 . . . . 0.0 110.092 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 55.6 p -142.0 145.2 34.17 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.986 175.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -55.46 -49.77 71.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.765 0.316 . . . . 0.0 111.652 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.66 -41.18 97.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.623 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.604 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 6.4 tp10 -59.96 -45.17 93.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.852 0.358 . . . . 0.0 110.266 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.64 -49.61 72.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.247 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -65.34 -38.77 91.13 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 122.517 0.327 . . . . 0.0 111.839 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -65.65 -42.85 90.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.858 0.361 . . . . 0.0 110.774 -176.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 63.6 mt -60.97 -50.48 73.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.95 -177.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.486 ' O ' HG13 ' A' ' 657' ' ' ILE . 9.1 mt -62.3 -45.58 92.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.912 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.86 -47.76 79.65 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.827 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -59.69 -46.99 87.39 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 29.8 mmtp -64.76 -38.67 91.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.077 -176.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 653' ' ' LEU . 83.4 mt -60.18 -43.2 92.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 176.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -64.44 -38.03 89.61 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -57.54 -47.39 82.14 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.943 0.401 . . . . 0.0 110.114 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.412 HG13 HD11 ' B' ' 845' ' ' LEU . 0.5 OUTLIER -63.83 -39.17 84.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.383 178.425 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -65.57 -40.09 92.39 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.215 0.531 . . . . 0.0 109.655 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -65.63 -39.64 91.69 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.043 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -56.62 -49.31 75.35 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.038 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.77 -42.41 97.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.328 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.3 -50.26 68.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.765 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.872 -176.319 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.412 HD11 HG13 ' A' ' 660' ' ' ILE . 5.5 mp . . . . . 0 C--O 1.234 0.265 0 CA-C-O 120.558 0.218 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . 0.402 ' O ' ' HG2' ' B' ' 850' ' ' MET . 68.2 Cg_exo -42.61 130.27 5.23 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 124.562 3.508 . . . . 0.0 114.493 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 34.2 m -60.92 -39.43 89.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.583 -1.19 . . . . 0.0 111.502 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -62.76 -40.27 96.74 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.446 -174.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 33.3 mm -63.47 -43.46 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.433 ' HE1' ' HA ' ' B' ' 850' ' ' MET . 26.1 mmm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.992 175.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.3 p80 . . . . . 0 N--CA 1.467 0.408 0 CA-C-O 121.196 0.522 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . 0.467 HG12 HD22 ' A' ' 599' ' ' LEU . 12.7 t -134.72 131.91 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 168.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.566 HG21 ' H ' ' A' ' 599' ' ' LEU . 3.7 t -88.37 154.13 20.63 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.322 177.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -63.01 -38.97 93.34 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -57.71 -39.94 78.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.895 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.566 ' H ' HG21 ' A' ' 596' ' ' THR . 16.9 tp -56.38 -47.47 78.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.262 0.553 . . . . 0.0 110.003 177.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -64.92 -48.01 75.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.75 -177.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.9 p -64.33 -38.64 91.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.503 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -55.64 -45.59 77.6 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.668 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' A' ' 653' ' ' LEU . 26.4 mt -64.6 -38.47 91.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.108 178.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.13 -42.7 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.322 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -61.62 -40.31 94.4 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.321 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -64.16 -39.12 93.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.65 -43.54 93.3 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.492 HG13 HD12 ' A' ' 628' ' ' LEU . 73.4 t -59.08 -46.23 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.495 0.664 . . . . 0.0 109.943 174.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.45 -38.07 76.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.972 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.19 88.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.005 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 29.2 mt -78.44 -34.96 18.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -156.98 102.52 1.93 Allowed Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -175.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -77.47 -33.42 2.44 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.018 1.812 . . . . 0.0 113.14 -171.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 23.4 p -77.37 112.41 23.53 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.584 0.23 . . . . 0.0 111.579 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.9 Cg_exo -77.61 74.94 4.95 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.976 2.451 . . . . 0.0 111.194 176.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -70.62 124.56 91.12 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.023 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -57.46 -30.96 90.0 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.261 2.64 . . . . 0.0 113.237 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.4 -48.04 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -57.44 -28.61 63.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.238 175.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.495 HD22 ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -61.07 -31.07 70.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.303 0.573 . . . . 0.0 109.636 178.318 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -104.16 14.84 29.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -100.33 141.26 33.43 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . 0.528 ' HD3' ' OE2' ' A' ' 626' ' ' GLU . 27.6 mmt180 -55.53 -36.44 66.75 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.968 177.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -53.97 -49.98 67.54 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.466 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.531 ' O ' HG21 ' A' ' 629' ' ' VAL . 52.4 ttm -66.11 -39.05 89.63 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.001 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . 0.528 ' OE2' ' HD3' ' A' ' 623' ' ' ARG . 40.3 mt-10 -60.74 -40.55 92.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.585 0.231 . . . . 0.0 111.129 -175.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -42.78 99.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.21 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.1 pp -67.61 -38.03 83.38 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.531 HG21 ' O ' ' A' ' 625' ' ' MET . 74.5 t -64.77 -41.52 92.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 121.304 0.574 . . . . 0.0 109.989 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -61.84 -38.38 87.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.842 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -63.23 -38.18 90.17 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.4 96.77 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.447 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -39.46 94.26 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.761 0.315 . . . . 0.0 110.905 174.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -56.49 -46.86 80.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.755 176.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.578 ' O ' ' HG2' ' A' ' 639' ' ' MET . 4.6 t -54.93 -47.11 76.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.23 173.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -56.03 -40.73 73.89 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.87 -50.01 66.93 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.98 -44.78 91.68 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.787 0.327 . . . . 0.0 111.336 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.6 mmt -64.65 -38.48 91.15 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.525 -178.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -52.97 -39.98 63.38 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.439 0.462 . . . . 0.0 111.352 -175.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -67.22 -46.81 72.69 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.387 0.613 . . . . 0.0 110.416 176.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 642' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 644' ' ' ASN . 9.3 m -64.11 -36.33 83.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.134 -0.939 . . . . 0.0 112.023 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.35 22.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.496 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.5 t-20 -70.13 -2.25 12.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.074 0.464 . . . . 0.0 110.177 -176.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 38.2 p -145.95 140.6 27.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.922 174.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -54.81 -50.35 68.77 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -175.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.72 -40.42 87.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.226 -176.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -64.17 -46.62 83.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.783 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -55.38 -49.26 72.79 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.766 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.4 ' OH ' HD21 ' A' ' 599' ' ' LEU . 57.3 m-85 -65.59 -40.07 92.29 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -66.98 -41.08 87.39 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.819 -174.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.531 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 80.8 mt -60.67 -49.83 75.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.048 -178.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.454 ' CD1' HD13 ' A' ' 603' ' ' LEU . 11.5 mt -64.67 -44.04 91.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.153 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.13 -43.87 78.64 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -61.3 -40.81 95.53 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.339 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 0.2 OUTLIER -63.32 -45.49 91.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.043 -179.172 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.455 ' O ' ' HG3' ' A' ' 661' ' ' GLN . 65.5 mt -64.69 -43.57 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.778 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -64.53 -38.32 90.61 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.489 ' O ' ' HG3' ' A' ' 662' ' ' LYS . 1.7 tppp? -58.58 -44.95 89.94 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.014 0.435 . . . . 0.0 110.073 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.546 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 0.2 OUTLIER -65.21 -38.6 83.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.485 176.026 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 27.7 mt-30 -65.31 -41.58 93.91 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.667 -174.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 659' ' ' LYS . 0.0 OUTLIER -65.71 -36.66 84.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.332 176.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.93 -46.79 87.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.043 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 88.7 mt -55.47 -48.76 74.02 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 123.123 0.264 . . . . 0.0 111.302 -175.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -65.62 -38.16 88.63 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.639 0.257 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.527 178.7 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.455 HD23 ' CD1' ' A' ' 660' ' ' ILE . 5.4 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.71 154.66 64.14 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 123.877 3.052 . . . . 0.0 114.951 -167.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 847' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' B' ' 850' ' ' MET . 19.8 m -55.07 -37.02 66.22 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 113.587 -1.642 . . . . 0.0 111.537 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -54.69 -48.98 71.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.45 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 33.2 mm -65.66 -38.31 82.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.28 177.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.426 ' HB2' ' O ' ' B' ' 847' ' ' SER . 3.8 mmt . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.335 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 29.4 p80 . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 120.97 0.414 . . . . 0.0 111.495 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 53.7 t -133.97 132.85 56.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 170.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.467 HG23 ' H ' ' A' ' 599' ' ' LEU . 1.8 t -94.39 163.85 13.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.565 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -63.65 -40.26 96.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.388 0.613 . . . . 0.0 109.643 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.65 -38.39 78.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.098 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.519 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 18.8 tp -54.38 -49.66 69.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.083 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.528 ' HD3' ' CD1' ' A' ' 640' ' ' TYR . 38.9 mtm180 -65.41 -43.86 89.25 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 52.7 p -64.57 -39.27 93.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.258 0.551 . . . . 0.0 110.092 -178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -56.02 -49.1 74.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.238 176.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 76.2 mt -62.87 -38.58 91.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.04 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.3 -40.76 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.979 0.419 . . . . 0.0 110.634 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -62.42 -37.72 86.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.285 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -55.81 -44.67 78.06 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.98 -43.64 91.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.23 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.427 HG11 HD13 ' A' ' 628' ' ' LEU . 90.0 t -64.02 -43.35 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 177.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . 0.521 ' OE1' ' HA ' ' A' ' 613' ' ' PRO . 5.9 tp-100 -60.93 -40.48 93.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.271 -179.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.74 83.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.15 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 33.5 mt -76.24 -34.6 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.976 -174.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -156.69 95.34 2.24 Favored Pre-proline 0 C--N 1.33 -0.263 0 O-C-N 122.101 -0.374 . . . . 0.0 110.048 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . 0.521 ' HA ' ' OE1' ' A' ' 609' ' ' GLN . 55.3 Cg_endo -78.26 -30.03 3.64 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.157 1.905 . . . . 0.0 113.262 -173.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 25.6 p -75.23 111.75 15.27 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.0 Cg_exo -79.31 73.61 5.94 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.078 2.519 . . . . 0.0 111.503 177.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -70.09 127.86 92.01 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.837 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -56.09 -26.39 59.52 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.222 2.614 . . . . 0.0 113.366 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -86.32 -46.81 9.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.814 0.34 . . . . 0.0 110.163 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 622' ' ' ASP . . . -59.42 -31.48 69.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.679 176.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -27.73 67.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.285 0.564 . . . . 0.0 110.239 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -99.75 16.1 24.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.343 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . 0.615 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 17.9 t70 -99.92 134.17 43.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.326 -175.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -63.3 -38.67 92.07 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.278 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.615 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 35.7 ttm180 -57.86 -39.96 79.02 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.865 -0.152 . . . . 0.0 111.054 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.506 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 41.5 ttm -58.49 -39.0 78.8 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.124 176.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.46 -38.11 79.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.624 0.249 . . . . 0.0 110.948 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.48 -41.8 90.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.443 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 625' ' ' MET . 0.9 OUTLIER -66.73 -38.93 87.65 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.557 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.56 -43.07 96.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.34 0.59 . . . . 0.0 109.974 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' A' ' 634' ' ' LYS . . . -59.37 -39.4 83.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.332 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -61.15 -38.77 87.62 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.32 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.28 86.75 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.725 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.657 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -63.96 -40.34 96.2 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.748 0.308 . . . . 0.0 111.387 175.826 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 630' ' ' ALA . 64.5 mttm -59.13 -45.9 89.74 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 639' ' ' MET . 11.1 t -57.68 -51.59 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.689 174.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.657 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.2 OUTLIER -56.48 -39.53 73.37 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 121.215 -0.194 . . . . 0.0 110.994 -178.572 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.31 -49.24 62.32 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.52 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.67 -40.88 97.93 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 24.0 mmt -61.63 -38.08 86.34 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.273 177.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.528 ' CD1' ' HD3' ' A' ' 600' ' ' ARG . 6.5 t80 -50.93 -37.44 44.23 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.593 0.558 . . . . 0.0 111.751 -173.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -50.28 63.25 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.646 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 642' ' ' SER . . . . . 0.555 ' C ' ' H ' ' A' ' 644' ' ' ASN . 23.2 t -65.06 -36.95 85.97 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.808 178.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.64 22.49 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.993 1.717 . . . . 0.0 114.725 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.555 ' H ' ' C ' ' A' ' 642' ' ' SER . 1.5 t-20 -70.25 1.1 5.2 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.087 0.47 . . . . 0.0 109.951 -177.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 19.7 m -140.01 138.53 35.53 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.545 173.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.43 ' O ' ' HD1' ' A' ' 650' ' ' TYR . 11.7 mmm180 -55.16 -51.16 67.38 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -174.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -59.99 -40.64 89.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 6.7 tp10 -56.52 -48.4 77.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.104 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.99 -49.46 76.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.462 -175.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.43 ' HD1' ' O ' ' A' ' 646' ' ' ARG . 68.4 m-85 -66.53 -40.19 88.99 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.175 0.512 . . . . 0.0 110.749 -176.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -40.85 86.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.257 -175.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.686 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 96.9 mt -61.08 -50.89 71.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 3.2 mt -61.31 -45.05 96.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.929 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.62 -42.18 82.81 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.604 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.58 -46.06 90.08 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.674 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.686 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 59.0 mmtt -64.98 -40.3 94.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 -175.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.447 ' O ' ' HG3' ' A' ' 661' ' ' GLN . 80.7 mt -61.66 -40.87 88.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.275 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -64.06 -37.21 86.62 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 74.2 mmtt -57.11 -47.96 79.79 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.759 0.314 . . . . 0.0 110.291 177.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.489 ' CD1' HD22 ' B' ' 845' ' ' LEU . 0.3 OUTLIER -63.08 -38.04 81.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.985 177.156 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 94.8 mt-30 -65.55 -39.72 92.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.199 0.523 . . . . 0.0 109.631 -178.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -64.82 -41.13 96.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.186 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 65.7 mm-40 -57.64 -46.62 83.94 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.663 178.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 92.2 mt -58.28 -42.49 86.69 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.583 0.552 . . . . 0.0 111.117 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.41 -45.45 90.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.124 0.487 . . . . 0.0 109.872 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.601 -179.754 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.489 HD22 ' CD1' ' A' ' 660' ' ' ILE . 5.9 mp . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.698 0.285 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -43.92 137.36 6.88 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 124.471 3.447 . . . . 0.0 114.877 -174.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 6.2 p -55.44 -37.56 67.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.172 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -54.52 -47.8 72.7 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.743 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 38.9 mm -65.15 -39.85 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.998 0.428 . . . . 0.0 110.32 178.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.449 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 3.0 mmt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.996 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.319 0 CA-C-O 121.032 0.444 . . . . 0.0 111.477 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . 0.412 HG12 HD21 ' A' ' 599' ' ' LEU . 86.9 t -137.68 133.69 45.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.555 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.7 t -91.19 164.15 14.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.873 0.368 . . . . 0.0 111.258 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -64.57 -42.11 95.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.393 0.616 . . . . 0.0 109.795 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -59.27 -39.54 83.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.306 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.555 ' H ' HG23 ' A' ' 596' ' ' THR . 20.6 tp -54.3 -47.73 72.1 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.059 -177.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.507 ' HD3' ' CE1' ' A' ' 640' ' ' TYR . 30.5 mtm105 -57.43 -50.7 72.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.544 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 22.0 p -64.14 -40.18 95.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.859 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -58.99 -48.97 79.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.153 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.5 HD11 ' CD1' ' A' ' 653' ' ' LEU . 47.6 mt -63.73 -38.28 90.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.186 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.432 HG21 ' O ' ' A' ' 600' ' ' ARG . 55.3 t -57.78 -40.61 76.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.555 0.217 . . . . 0.0 110.966 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -62.79 -38.22 89.8 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 121.183 -0.207 . . . . 0.0 110.766 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -58.54 -39.53 80.46 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.179 0.514 . . . . 0.0 110.483 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.468 HD11 ' HZ1' ' A' ' 656' ' ' LYS . 5.7 tt -64.13 -48.92 74.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.591 178.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 92.3 t -56.37 -42.91 75.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.03 173.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -55.97 -41.58 74.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.744 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.28 94.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.673 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 36.2 mt -80.52 -33.95 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.617 0.246 . . . . 0.0 110.732 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -154.88 90.17 3.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 -171.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -78.38 -32.77 2.14 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.024 1.816 . . . . 0.0 112.534 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 25.2 p -64.2 119.48 56.23 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -77.13 91.46 1.17 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.078 2.519 . . . . 0.0 110.992 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.448 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 14.7 t70 -102.98 124.65 37.81 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.294 -177.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.61 -32.38 96.57 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.191 2.594 . . . . 0.0 113.693 -175.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -89.43 -47.04 8.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.551 0.215 . . . . 0.0 110.743 -176.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . 0.448 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -56.7 -28.79 61.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.502 176.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -30.1 71.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.245 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -102.79 16.67 25.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.006 0.431 . . . . 0.0 110.789 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -99.58 133.53 43.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.489 -175.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -60.74 -38.71 86.09 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.576 -176.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -39.54 75.39 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 122.318 0.247 . . . . 0.0 110.902 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.541 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 46.1 ttm -62.02 -39.02 90.87 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.602 175.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.12 -38.62 87.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.885 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . 0.412 ' N ' HD21 ' A' ' 627' ' ' ASN . 0.9 OUTLIER -57.48 -46.89 83.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.746 179.469 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.1 pp -66.75 -38.85 87.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.875 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.477 HG21 ' O ' ' A' ' 625' ' ' MET . 99.4 t -65.26 -40.75 89.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.283 0.563 . . . . 0.0 110.144 178.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.2 87.26 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.73 176.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -64.42 -36.92 85.74 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 629' ' ' VAL . . . -55.37 -39.95 70.72 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.084 0.468 . . . . 0.0 110.096 178.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -39.89 95.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.528 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -56.1 -47.11 78.68 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.724 0.297 . . . . 0.0 110.555 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.545 ' O ' ' HG2' ' A' ' 639' ' ' MET . 12.4 t -55.95 -44.47 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.995 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.479 ' OE2' ' HB3' ' A' ' 600' ' ' ARG . 6.3 tt0 -54.88 -45.83 74.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.38 178.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.44 -48.82 74.96 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.694 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.08 -41.5 97.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.797 0.299 . . . . 0.0 111.186 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.545 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 21.7 mmt -64.58 -36.97 85.94 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.229 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.507 ' CE1' ' HD3' ' A' ' 600' ' ' ARG . 4.3 t80 -49.75 -37.05 27.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.199 -0.91 . . . . 0.0 113.058 -170.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.21 -50.5 65.63 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.52 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 642' ' ' SER . . . . . 0.562 ' C ' ' H ' ' A' ' 644' ' ' ASN . 19.5 m -64.35 -37.53 87.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.848 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.44 19.15 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.562 ' H ' ' C ' ' A' ' 642' ' ' SER . 0.1 OUTLIER -83.24 19.31 1.51 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.498 0.666 . . . . 0.0 109.231 -179.673 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 35.3 m -151.08 134.63 16.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -55.24 -51.02 67.96 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -170.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.17 -40.87 97.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.743 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 19.4 tt0 -61.44 -43.37 98.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.935 -177.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.77 -50.34 73.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.757 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -66.17 -39.42 89.74 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -65.16 -42.36 93.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.75 0.31 . . . . 0.0 110.438 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.495 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 93.3 mt -64.07 -48.34 76.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.0 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.509 ' O ' HG13 ' A' ' 657' ' ' ILE . 13.7 mt -64.29 -45.53 87.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.253 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.13 91.27 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.124 0.265 . . . . 0.0 111.439 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -57.39 -43.87 84.0 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.464 0.65 . . . . 0.0 109.483 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.468 ' HZ1' HD11 ' A' ' 607' ' ' LEU . 1.3 tmmm? -58.93 -41.27 86.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.826 178.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 653' ' ' LEU . 64.4 mt -64.33 -44.01 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.867 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -63.41 -38.86 92.76 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -57.29 -45.08 84.45 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.725 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.439 HG13 HD13 ' B' ' 845' ' ' LEU . 0.1 OUTLIER -62.93 -37.18 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.301 177.479 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . 0.496 ' O ' ' HG3' ' A' ' 665' ' ' GLU . 92.0 mt-30 -65.1 -41.69 94.7 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -175.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -66.6 -40.38 88.83 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.114 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -58.77 -49.2 78.53 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.773 0.32 . . . . 0.0 110.633 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 89.4 mt -59.05 -48.38 81.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 661' ' ' GLN . 52.0 mt-10 -64.8 -42.71 94.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.703 0.287 . . . . 0.0 110.759 -178.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.214 -178.819 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.439 HD13 HG13 ' A' ' 660' ' ' ILE . 5.7 mp . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 120.785 0.326 . . . . 0.0 110.687 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -46.63 136.73 16.01 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.993 3.129 . . . . 0.0 114.052 -175.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 20.4 m -55.34 -38.0 68.18 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.736 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -55.17 -48.38 73.85 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.864 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 32.3 mm -64.47 -38.91 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 121.122 0.487 . . . . 0.0 109.956 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.437 ' SD ' HG12 ' A' ' 660' ' ' ILE . 31.4 mmt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.34 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 . . . . . 0 N--CA 1.468 0.458 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 86.6 t -125.67 131.97 71.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 172.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.445 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.0 t -93.71 154.75 17.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.659 0.266 . . . . 0.0 110.702 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -60.7 -38.0 83.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -55.67 -40.04 71.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.473 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.445 ' H ' HG23 ' A' ' 596' ' ' THR . 19.9 tp -55.92 -47.9 76.65 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.737 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 604' ' ' VAL . 69.5 mtp180 -60.97 -49.7 76.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.943 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 19.1 p -62.62 -38.39 90.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.075 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -55.67 -48.37 75.15 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.116 0.484 . . . . 0.0 110.087 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 39.5 mt -65.05 -37.79 88.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.242 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 600' ' ' ARG . 58.6 t -61.33 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.133 0.492 . . . . 0.0 110.243 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -63.35 -37.33 86.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.61 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -61.38 -40.35 94.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.794 0.331 . . . . 0.0 110.486 175.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.3 tt -64.15 -43.05 96.38 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.47 HG12 HD12 ' A' ' 628' ' ' LEU . 78.4 t -58.16 -46.64 88.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.169 0.509 . . . . 0.0 110.206 172.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -38.7 70.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.985 178.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.47 -39.32 79.61 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.066 178.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 27.5 mt -82.18 -35.65 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -157.89 100.88 1.8 Allowed Pre-proline 0 N--CA 1.452 -0.331 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -173.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -74.39 -31.27 7.45 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 121.965 1.777 . . . . 0.0 113.181 -170.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 11.4 p -85.01 123.29 73.79 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 120.693 0.282 . . . . 0.0 111.494 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -75.88 65.91 6.79 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.756 2.304 . . . . 0.0 110.964 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.451 ' O ' ' HB2' ' A' ' 620' ' ' LEU . 32.0 t70 -61.24 125.18 83.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.88 -178.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.09 -28.89 87.97 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.964 2.442 . . . . 0.0 113.548 -175.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -79.56 -53.36 6.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.015 0.436 . . . . 0.0 110.082 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -58.26 -27.45 64.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.979 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.519 HD22 ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -63.04 -30.93 71.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.933 -179.209 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . 0.41 ' HE2' ' HA ' ' A' ' 621' ' ' LYS . 11.5 mmpt? -95.54 -3.19 47.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.278 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -89.84 136.74 32.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.803 0.335 . . . . 0.0 110.42 -174.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . 0.577 ' NH2' ' HG3' ' A' ' 626' ' ' GLU . 3.6 mmp_? -53.48 -37.83 63.07 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.198 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 624' ' ' ARG . 15.9 ttm180 -60.06 -40.19 88.59 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 111.388 0.144 . . . . 0.0 111.388 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.525 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 42.3 ttm -64.55 -39.6 94.05 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.429 177.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . 0.577 ' HG3' ' NH2' ' A' ' 623' ' ' ARG . 45.4 mm-40 -61.2 -39.29 89.66 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.773 0.32 . . . . 0.0 110.27 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -61.83 -44.55 96.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.817 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 625' ' ' MET . 0.8 OUTLIER -66.1 -38.28 87.83 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.068 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 625' ' ' MET . 96.7 t -65.05 -41.34 91.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.137 0.494 . . . . 0.0 110.234 177.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 634' ' ' LYS . . . -62.95 -39.73 95.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.491 175.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -59.86 -40.47 88.73 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 176.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.52 -49.52 77.09 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.392 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.595 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -57.28 -39.17 75.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.829 174.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.502 ' HZ2' ' HB3' ' A' ' 634' ' ' LYS . 9.1 mtpm? -56.88 -49.53 75.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.779 0.323 . . . . 0.0 110.298 176.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.623 ' O ' ' HG2' ' A' ' 639' ' ' MET . 11.6 t -57.01 -51.88 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.625 174.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.595 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.1 OUTLIER -58.16 -39.31 78.5 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 121.239 -0.184 . . . . 0.0 111.074 -178.75 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.38 -47.29 88.84 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.09 -40.61 96.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.025 0.441 . . . . 0.0 110.63 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 25.0 mmt -61.51 -36.26 80.04 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.554 176.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -51.39 -38.21 52.23 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.537 0.523 . . . . 0.0 111.992 -173.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -49.55 65.42 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.406 0.622 . . . . 0.0 110.432 176.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 642' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 644' ' ' ASN . 7.6 t -62.64 -34.32 76.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.155 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.97 23.18 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.522 1.529 . . . . 0.0 114.663 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.541 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.3 t-20 -74.97 -2.69 28.29 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 13.5 m -138.44 131.66 30.12 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -56.29 -47.79 77.94 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.86 0.362 . . . . 0.0 111.398 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.04 -40.63 96.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.915 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.515 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.3 tp10 -63.89 -48.4 76.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.687 -178.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -54.71 -50.0 69.35 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.333 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -65.57 -39.13 91.3 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -66.34 -40.98 90.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.001 0.429 . . . . 0.0 110.677 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 65.6 mt -62.51 -49.82 73.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.167 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.515 ' O ' HG13 ' A' ' 657' ' ' ILE . 10.3 mt -61.05 -42.45 98.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.825 177.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.63 -44.1 76.78 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.301 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -58.01 -46.29 85.49 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.608 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -64.59 -40.05 94.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.09 -176.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 653' ' ' LEU . 55.0 mt -64.11 -40.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . 0.411 ' HA ' HE21 ' A' ' 661' ' ' GLN . 7.4 t80 -63.07 -38.31 90.66 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 13.6 tppt? -57.93 -48.0 81.2 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 177.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.506 HG12 ' SD ' ' B' ' 850' ' ' MET . 0.5 OUTLIER -59.55 -38.96 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.076 175.121 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 48.0 mt-30 -65.5 -39.71 92.18 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -64.99 -47.9 75.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.655 176.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 18.7 mm-40 -61.19 -49.34 77.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.142 -174.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 80.2 mt -59.43 -45.29 91.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.0 0.428 . . . . 0.0 110.686 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -66.01 -49.73 66.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.951 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.725 -175.454 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.49 HD12 HG13 ' A' ' 660' ' ' ILE . 4.3 mp . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.807 0.337 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -44.44 128.87 8.44 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 124.645 3.564 . . . . 0.0 114.523 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.0 p -57.87 -39.24 77.31 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.246 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.04 -46.94 78.72 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.697 -177.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 18.8 mm -64.48 -40.0 87.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.506 ' SD ' HG12 ' A' ' 660' ' ' ILE . 30.9 mmt . . . . . 0 N--CA 1.464 0.263 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.759 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 121.462 0.649 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 27.7 t -138.26 132.18 41.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.888 171.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.498 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.3 t -90.14 157.81 17.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.748 0.309 . . . . 0.0 111.127 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.35 -38.45 89.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.816 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -57.65 -40.42 79.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.841 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.498 ' H ' HG23 ' A' ' 596' ' ' THR . 18.2 tp -57.6 -44.68 85.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.174 0.511 . . . . 0.0 110.377 176.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.537 ' HD2' ' OH ' ' A' ' 649' ' ' TYR . 20.3 mmm180 -64.01 -50.52 68.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.129 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 11.1 p -66.1 -39.53 90.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.644 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . 0.448 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 20.6 t60 -55.67 -49.56 72.61 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.135 0.493 . . . . 0.0 110.481 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.48 -36.43 84.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.582 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.401 ' O ' HG22 ' A' ' 608' ' ' VAL . 53.3 t -61.81 -41.83 92.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.955 0.407 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -63.64 -39.45 94.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.282 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 602' ' ' HIS . 45.1 mtpt -61.9 -40.14 94.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.994 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.35 -42.29 93.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.037 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.418 HG12 HD12 ' A' ' 628' ' ' LEU . 93.0 t -61.03 -46.36 96.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.21 0.528 . . . . 0.0 110.016 175.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . 0.41 ' OE1' ' HA ' ' A' ' 613' ' ' PRO . 8.0 tp-100 -55.6 -39.36 70.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.826 177.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.26 88.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.516 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 32.9 mt -75.99 -33.97 26.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.632 0.253 . . . . 0.0 110.334 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -156.47 101.03 2.04 Favored Pre-proline 0 N--CA 1.45 -0.474 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 -171.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . 0.41 ' HA ' ' OE1' ' A' ' 609' ' ' GLN . 54.7 Cg_endo -77.09 -34.73 2.06 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.903 1.736 . . . . 0.0 113.317 -173.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 40.0 p -77.87 111.07 15.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -82.1 69.42 7.52 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.934 2.423 . . . . 0.0 111.54 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -64.49 128.79 93.76 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.24 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -57.33 -28.14 78.64 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.196 2.597 . . . . 0.0 113.774 -176.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.43 -49.93 8.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.328 . . . . 0.0 110.12 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -57.08 -28.1 62.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.513 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.438 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -64.42 -30.26 71.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.063 -179.421 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -106.32 16.59 24.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.761 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . 0.622 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 16.8 t0 -93.58 129.47 39.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.916 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -55.62 -36.65 67.21 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.874 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.622 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 17.7 ttp180 -54.04 -40.94 67.54 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 122.195 0.198 . . . . 0.0 111.52 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.495 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 47.9 ttm -63.63 -38.41 91.02 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.409 178.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -56.4 -38.81 72.03 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.637 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . 0.444 ' N ' HD21 ' A' ' 627' ' ' ASN . 0.9 OUTLIER -63.18 -46.09 88.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.168 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.4 pp -65.81 -38.26 88.49 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.233 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.484 HG21 ' O ' ' A' ' 625' ' ' MET . 67.9 t -64.12 -40.28 88.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.147 0.499 . . . . 0.0 110.002 177.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -59.13 -39.03 81.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.358 178.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -58.36 -40.22 81.67 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 121.188 -0.205 . . . . 0.0 110.629 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.96 -44.43 96.77 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.935 0.397 . . . . 0.0 110.264 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.641 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 31.7 mmtp -53.89 -50.59 66.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.875 173.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.522 ' HE2' ' N ' ' A' ' 634' ' ' LYS . 1.2 mpmm? -55.58 -47.3 76.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.564 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.444 ' O ' ' HG2' ' A' ' 639' ' ' MET . 21.7 t -55.53 -49.65 72.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.663 175.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 3.4 pt-20 -56.32 -40.52 74.51 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.607 0.241 . . . . 0.0 110.375 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.84 -50.51 47.05 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.125 -0.559 . . . . 0.0 113.036 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.25 -47.85 82.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 111.074 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.588 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 20.6 mmt -58.95 -36.83 75.47 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.697 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.406 ' HA ' ' HB2' ' A' ' 643' ' ' ALA . 3.8 t80 -50.56 -35.44 29.79 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.866 0.729 . . . . 0.0 112.613 -170.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.56 -50.5 67.01 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.508 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 642' ' ' SER . . . . . 0.512 ' C ' ' H ' ' A' ' 644' ' ' ASN . 16.5 m -65.26 -38.35 90.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.163 0.506 . . . . 0.0 111.192 175.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' A' ' 640' ' ' TYR . . . -59.21 20.76 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.136 1.374 . . . . 0.0 114.492 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.512 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.1 t-20 -75.34 2.84 10.25 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.421 0.629 . . . . 0.0 109.852 -175.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 40.1 m -140.94 139.6 34.32 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.175 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -54.87 -50.6 68.28 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -168.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.2 -42.09 98.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.398 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.499 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 9.6 tp10 -62.83 -41.93 99.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.638 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . 0.537 ' OH ' ' HD2' ' A' ' 600' ' ' ARG . 1.9 t80 -55.5 -49.58 72.18 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.636 -176.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -64.29 -37.47 87.6 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 120.799 0.333 . . . . 0.0 111.289 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -65.18 -44.99 86.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.036 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.588 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 61.7 mt -60.04 -50.82 72.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.209 -176.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.508 ' O ' HG13 ' A' ' 657' ' ' ILE . 6.5 mt -64.24 -44.86 90.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.33 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.19 -42.34 81.04 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.854 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 25.1 tt0 -60.12 -41.92 93.66 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.136 179.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -64.0 -40.84 97.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.446 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 653' ' ' LEU . 54.4 mt -64.93 -40.3 88.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.432 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -64.62 -37.75 88.65 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 75.5 mmtt -56.87 -46.13 82.02 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.604 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 0.2 OUTLIER -60.36 -38.89 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.915 176.448 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -65.77 -40.58 92.15 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.114 0.483 . . . . 0.0 109.733 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -65.35 -45.26 84.89 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.668 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 659' ' ' LYS . 24.7 mt-10 -63.04 -39.15 93.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.381 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 82.2 mt -59.2 -39.79 83.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.979 0.419 . . . . 0.0 110.116 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -65.61 -45.37 83.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.523 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.187 -177.573 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.498 ' CD1' HG13 ' A' ' 660' ' ' ILE . 5.5 mp . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.968 0.413 . . . . 0.0 111.334 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -57.58 144.76 91.7 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 123.333 2.689 . . . . 0.0 112.579 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.3 t -55.55 -37.83 68.5 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.601 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -53.3 -47.67 69.03 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.393 0.433 . . . . 0.0 111.696 -175.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 33.8 mm -66.36 -44.47 90.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.783 0.325 . . . . 0.0 111.143 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 33.2 mmt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.23 0.538 . . . . 0.0 110.459 178.11 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.8 p80 . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 43.0 t -137.67 132.68 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.521 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.3 t -90.98 150.77 21.33 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.203 177.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.56 ' HA ' HE21 ' A' ' 597' ' ' GLN . 0.1 OUTLIER -59.02 -38.12 78.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.129 0.49 . . . . 0.0 109.726 179.386 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -57.74 -40.05 78.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.946 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 21.0 tp -57.74 -52.16 66.58 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.762 0.315 . . . . 0.0 111.007 177.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -64.78 -46.8 80.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.67 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 32.6 p -64.22 -40.31 95.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.909 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -57.49 -43.54 84.21 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.161 0.505 . . . . 0.0 110.272 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 35.1 mt -64.14 -38.24 90.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.874 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.42 -45.16 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -63.19 -39.04 93.49 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.87 -40.25 94.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.455 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.84 -43.87 91.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.834 176.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.496 HG13 HD12 ' A' ' 628' ' ' LEU . 66.7 t -55.28 -45.2 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.152 0.501 . . . . 0.0 110.412 172.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . 0.445 ' HG2' ' HA ' ' A' ' 613' ' ' PRO . 1.0 OUTLIER -58.19 -38.72 77.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.539 178.301 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.2 -40.91 91.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.364 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.8 mt -80.5 -32.45 13.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -156.43 93.06 2.47 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -174.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . 0.445 ' HA ' ' HG2' ' A' ' 609' ' ' GLN . 41.5 Cg_endo -74.72 -32.85 5.48 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.078 1.852 . . . . 0.0 113.171 -170.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 13.8 p -73.93 108.49 5.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.317 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -80.41 75.58 4.97 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.888 2.392 . . . . 0.0 111.754 -178.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -73.06 124.87 91.15 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.83 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.78 -26.33 65.73 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.316 2.677 . . . . 0.0 113.742 -174.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -88.1 -49.04 7.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 0.0 110.35 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . 0.445 ' O ' ' HB3' ' A' ' 622' ' ' ASP . . . -57.35 -27.96 62.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.324 175.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.542 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -61.4 -33.26 73.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.411 178.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -96.15 15.37 21.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.145 -177.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . 0.545 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 0.6 OUTLIER -97.29 141.12 30.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.234 0.54 . . . . 0.0 111.115 -173.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -64.08 -38.43 91.05 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.233 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.545 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 56.0 ttp180 -57.28 -43.94 83.59 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.738 0.304 . . . . 0.0 110.678 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.542 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 40.0 ttm -62.64 -38.38 90.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.769 175.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -56.35 -39.26 72.58 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.838 0.352 . . . . 0.0 110.158 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -43.06 99.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.507 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.496 HD12 HG13 ' A' ' 608' ' ' VAL . 0.6 OUTLIER -66.99 -38.82 86.71 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.795 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 625' ' ' MET . 62.5 t -64.68 -40.22 88.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-O 121.148 0.499 . . . . 0.0 110.125 178.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.52 83.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.663 177.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -64.59 -38.61 91.6 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 175.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.89 94.43 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.071 0.462 . . . . 0.0 110.028 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.566 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 25.8 mmtp -59.86 -46.92 87.78 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.579 0.704 . . . . 0.0 111.266 173.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -54.1 -43.74 70.65 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.226 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.501 ' O ' ' HG2' ' A' ' 639' ' ' MET . 20.7 t -60.2 -49.96 82.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.724 176.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 3.9 pt-20 -56.3 -40.02 73.66 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.872 0.367 . . . . 0.0 110.436 -178.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.47 -48.26 70.29 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.744 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.36 -43.26 95.08 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.543 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 25.5 mmt -56.36 -36.67 69.07 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.713 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -49.23 -35.09 16.5 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.938 0.774 . . . . 0.0 112.919 -173.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.75 -52.24 61.32 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 119.66 -0.816 . . . . 0.0 110.61 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 642' ' ' SER . . . . . 0.488 ' C ' ' H ' ' A' ' 644' ' ' ASN . 23.4 t -67.75 -39.66 84.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.094 176.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -57.73 20.38 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.488 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.3 t-20 -71.04 -1.92 13.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.222 0.534 . . . . 0.0 109.612 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 43.5 m -128.64 138.1 52.0 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.442 174.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -55.88 -49.96 71.95 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.637 0.256 . . . . 0.0 111.628 -176.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.92 -40.17 83.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.938 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.524 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 7.7 tp10 -62.09 -46.07 90.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.377 -178.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -55.59 -46.24 77.32 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.242 -175.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -62.7 -38.02 88.77 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 122.649 0.38 . . . . 0.0 111.25 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -66.3 -42.34 88.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.654 -174.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.543 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 46.7 mt -62.62 -50.38 71.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.361 -175.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.468 ' CD1' HD12 ' A' ' 603' ' ' LEU . 10.8 mt -62.34 -42.86 99.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.399 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.81 -44.93 78.32 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.57 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.12 -49.61 76.37 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.812 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -64.98 -41.64 95.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.272 -174.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.09 -40.61 89.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.818 0.342 . . . . 0.0 110.266 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -64.52 -37.39 87.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.319 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 662' ' ' LYS . 71.1 mmtt -57.7 -43.59 85.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.103 0.478 . . . . 0.0 110.472 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.495 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 1.0 OUTLIER -64.13 -37.83 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.767 175.694 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -64.12 -38.51 91.33 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 659' ' ' LYS . 21.4 tttm -56.39 -47.11 79.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.132 173.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -61.34 -40.1 93.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.328 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 92.1 mt -64.38 -39.03 93.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.089 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.08 -45.71 84.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.136 0.494 . . . . 0.0 110.353 172.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.558 -176.141 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.481 HD13 HG13 ' A' ' 660' ' ' ILE . 5.8 mp . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -35.36 129.48 0.28 Allowed 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 125.239 3.959 . . . . 0.0 114.926 -174.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.8 m -55.05 -38.59 68.19 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.855 176.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.45 -46.89 85.66 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.696 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 40.9 mm -65.66 -40.19 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 120.968 0.413 . . . . 0.0 110.388 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.418 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 2.5 mmt . . . . . 0 N--CA 1.463 0.208 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.953 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.6 p80 . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 86.4 t -134.89 132.31 53.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 118.371 0.532 . . . . 0.0 110.372 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.515 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.0 t -91.39 152.23 20.5 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 175.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -60.35 -38.69 84.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.347 0.594 . . . . 0.0 109.586 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -56.22 -40.92 74.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.665 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.515 ' H ' HG23 ' A' ' 596' ' ' THR . 17.9 tp -60.3 -48.35 82.1 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.651 177.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -59.01 -50.35 74.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.098 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 44.0 p -65.23 -40.56 94.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.91 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -56.66 -50.57 71.69 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.384 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.408 HD12 HD13 ' A' ' 653' ' ' LEU . 42.0 mt -66.01 -38.98 89.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.225 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.417 ' O ' HG22 ' A' ' 608' ' ' VAL . 19.8 t -64.59 -45.41 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.856 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -63.99 -39.17 93.51 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.33 -40.08 95.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.286 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.9 tt -61.94 -44.03 97.61 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 604' ' ' VAL . 97.2 t -60.65 -45.05 98.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.459 174.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -58.26 -38.18 76.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.772 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.03 93.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.725 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.476 HG12 HD11 ' A' ' 660' ' ' ILE . 23.0 mt -78.56 -30.41 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.113 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -155.92 101.17 2.14 Favored Pre-proline 0 CA--C 1.531 0.245 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -79.13 -34.02 1.27 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.144 1.896 . . . . 0.0 113.46 -172.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 23.4 p -69.38 110.56 6.51 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.2 Cg_exo -83.92 72.84 5.15 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.213 2.609 . . . . 0.0 111.518 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.44 ' HB3' ' HB1' ' A' ' 619' ' ' ALA . 21.2 t70 -77.93 129.1 77.11 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.012 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -55.85 -28.97 70.37 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.514 2.809 . . . . 0.0 113.649 -174.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -92.75 -48.28 6.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.614 0.245 . . . . 0.0 110.557 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . 0.497 ' O ' ' HB3' ' A' ' 622' ' ' ASP . . . -57.58 -28.46 63.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.664 178.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.462 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -62.16 -31.84 72.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.196 0.522 . . . . 0.0 110.324 178.095 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -97.64 18.0 16.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.541 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . 0.587 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 5.2 t70 -93.62 129.72 39.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.157 -175.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -58.08 -39.5 78.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.439 -177.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.587 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 28.4 ttp180 -57.7 -46.8 83.88 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.623 177.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.542 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 41.9 ttm -64.44 -39.84 94.59 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.772 175.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 622' ' ' ASP . 39.6 mt-10 -58.08 -38.59 76.66 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-O 120.729 0.3 . . . . 0.0 110.763 -178.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.61 -40.72 97.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.203 178.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 625' ' ' MET . 0.7 OUTLIER -68.42 -38.16 80.96 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.017 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 625' ' ' MET . 84.5 t -64.15 -40.29 88.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-O 121.131 0.491 . . . . 0.0 110.217 178.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -58.58 -37.79 76.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.506 177.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -59.31 -37.5 77.91 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.296 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.51 94.9 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.206 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.521 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -65.02 -40.84 95.46 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 120.941 0.401 . . . . 0.0 110.509 175.424 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 31.3 mmmt -56.02 -42.88 77.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.966 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 639' ' ' MET . 19.6 t -55.61 -49.79 71.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.678 176.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 3.2 pt-20 -56.87 -39.98 75.33 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.255 -178.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.77 -48.52 71.33 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.775 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -63.71 -43.8 95.5 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.912 0.386 . . . . 0.0 110.963 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.5 mmt -64.26 -36.17 83.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.631 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -48.17 -36.64 13.98 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.803 0.689 . . . . 0.0 112.595 -173.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -65.5 -49.99 66.95 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.165 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 642' ' ' SER . . . . . 0.504 ' C ' ' H ' ' A' ' 644' ' ' ASN . 15.4 m -66.56 -39.34 88.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.449 176.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -57.44 19.7 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.504 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.1 t-20 -70.81 -5.99 34.46 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 16.5 m -130.77 141.61 50.37 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.66 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -57.13 -50.03 74.07 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.602 0.239 . . . . 0.0 111.544 -177.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.53 -42.28 91.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.54 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.7 tp10 -62.18 -46.14 90.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.621 -177.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -55.88 -49.42 73.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.82 -175.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.412 ' HH ' HD11 ' A' ' 599' ' ' LEU . 63.5 m-85 -66.33 -38.76 88.43 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.283 0.563 . . . . 0.0 110.967 -178.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -43.57 89.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.005 -173.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 70.1 mt -63.18 -50.13 71.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.078 -177.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.408 HD13 HD12 ' A' ' 603' ' ' LEU . 13.7 mt -62.45 -40.96 98.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.628 -178.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.89 78.79 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.727 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -55.94 -47.12 78.13 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.01 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -63.8 -40.16 95.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.553 -171.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 75.5 mt -60.88 -49.42 84.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.596 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -66.21 -38.69 88.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.038 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -60.45 -47.57 85.52 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.171 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.476 HD11 HG12 ' A' ' 611' ' ' ILE . 1.3 mt -63.64 -39.18 84.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.915 177.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -64.58 -38.96 92.82 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.182 0.515 . . . . 0.0 109.961 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -64.32 -43.0 96.03 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.222 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.6 -42.53 95.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.512 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 86.3 mt -58.2 -45.29 87.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.865 0.364 . . . . 0.0 110.087 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.77 -42.7 94.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.757 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.049 179.062 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.434 HD12 HG13 ' A' ' 660' ' ' ILE . 1.7 mt . . . . . 0 CA--C 1.53 0.208 0 CA-C-O 120.427 0.156 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' B' ' 845' ' ' LEU . 11.1 Cg_endo -53.98 123.02 12.45 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.402 2.735 . . . . 0.0 113.832 -176.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 11.3 p -55.99 -36.51 67.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.355 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -52.77 -49.04 66.34 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.098 -175.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 32.3 mm -64.6 -38.36 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.663 0.268 . . . . 0.0 110.508 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.441 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 7.6 mmt . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.946 0.403 . . . . 0.0 110.786 177.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 . . . . . 0 N--CA 1.466 0.342 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 82.0 t -129.14 132.83 66.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 171.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.469 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.7 t -93.49 157.85 16.0 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 121.001 -0.279 . . . . 0.0 111.124 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -61.55 -39.65 91.86 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.53 -39.99 74.3 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.922 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 18.9 tp -57.68 -51.03 71.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.866 178.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -66.01 -45.38 81.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.604 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 601' ' ' SER . . . . . 0.454 ' O ' ' HD2' ' A' ' 605' ' ' HIS . 35.2 p -64.04 -39.86 95.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.974 -176.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -57.59 -43.71 84.84 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.145 0.498 . . . . 0.0 110.123 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 65.7 mt -63.86 -36.23 83.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.515 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.59 -43.85 95.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.961 0.41 . . . . 0.0 110.257 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.454 ' HD2' ' O ' ' A' ' 601' ' ' SER . 61.7 m-70 -60.0 -37.78 80.68 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.537 177.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 603' ' ' LEU . 31.2 mmmt -55.48 -48.55 74.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.545 177.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.2 tt -65.16 -41.62 94.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.418 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.429 HG12 HD12 ' A' ' 628' ' ' LEU . 96.9 t -60.63 -47.49 92.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.923 0.392 . . . . 0.0 110.385 176.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -58.13 -38.35 76.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.54 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.81 84.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.025 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.4 mt -83.88 -33.67 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -157.13 93.59 2.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -173.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -79.42 -36.84 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 121.884 1.723 . . . . 0.0 112.648 -175.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 20.3 p -67.09 117.25 44.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -176.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -81.2 61.72 8.24 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.153 2.568 . . . . 0.0 111.806 177.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 620' ' ' LEU . 19.3 t70 -63.91 127.61 91.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.153 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.17 -28.33 83.56 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.266 2.644 . . . . 0.0 113.474 -175.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -87.93 -49.92 6.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.828 0.347 . . . . 0.0 110.654 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -59.89 -28.23 67.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.593 177.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 616' ' ' ASP . 0.2 OUTLIER -64.81 -32.37 74.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.295 0.569 . . . . 0.0 109.74 179.165 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -93.89 11.64 28.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.906 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -89.83 131.89 35.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.067 0.461 . . . . 0.0 110.252 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -61.21 -37.55 83.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.299 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -64.83 -38.17 90.08 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.476 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 0.0 OUTLIER -55.69 -43.74 76.7 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.046 175.112 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.89 -38.14 78.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.852 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -60.51 -40.72 92.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.033 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 625' ' ' MET . 0.7 OUTLIER -66.63 -38.36 86.78 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.335 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.85 -42.97 96.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 121.218 0.533 . . . . 0.0 109.563 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -60.12 -37.99 81.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.633 175.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -60.91 -40.01 91.5 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.62 98.41 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.865 0.364 . . . . 0.0 110.074 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 630' ' ' ALA . 31.5 mmtp -54.47 -50.12 68.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.883 172.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 630' ' ' ALA . 67.7 mttm -55.78 -44.48 77.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.556 176.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.589 ' O ' ' HG2' ' A' ' 639' ' ' MET . 6.4 t -54.84 -47.09 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.805 172.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 633' ' ' LYS . 7.9 tt0 -55.54 -41.47 73.26 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 122.631 0.372 . . . . 0.0 110.77 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.21 -47.91 80.17 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.587 177.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.74 -42.2 97.91 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.991 0.424 . . . . 0.0 110.938 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.9 mmt -61.67 -37.4 83.96 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.39 178.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -51.26 -38.97 55.62 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 123.594 0.559 . . . . 0.0 111.574 -174.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.44 -50.28 59.97 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.228 0.537 . . . . 0.0 110.636 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 642' ' ' SER . . . . . 0.547 ' C ' ' H ' ' A' ' 644' ' ' ASN . 4.5 t -64.68 -35.81 82.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.236 -178.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -56.5 22.2 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.518 1.527 . . . . 0.0 114.527 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.547 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.8 t-20 -73.31 -3.77 29.09 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -177.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 43.2 m -135.11 133.67 39.46 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -55.76 -50.09 71.36 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.29 -40.4 96.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.34 -43.7 98.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.62 -49.14 73.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.067 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -64.35 -38.37 90.79 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 111.755 0.279 . . . . 0.0 111.755 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -65.37 -41.1 94.15 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.971 0.415 . . . . 0.0 110.494 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.442 ' O ' ' HD3' ' A' ' 656' ' ' LYS . 39.7 mt -61.95 -52.32 64.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.031 -178.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.45 ' CD1' HD11 ' A' ' 603' ' ' LEU . 9.2 mt -60.69 -44.64 96.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.187 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.11 -42.05 80.12 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.659 178.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -59.82 -50.03 75.4 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.442 ' HD3' ' O ' ' A' ' 652' ' ' LEU . 2.7 mptp? -64.89 -40.02 94.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.858 -175.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.71 -44.72 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.349 . . . . 0.0 110.389 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . 0.517 ' O ' ' HG3' ' A' ' 662' ' ' LYS . 5.8 t80 -64.5 -38.61 91.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.367 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -56.99 -46.38 82.31 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-O 120.743 0.306 . . . . 0.0 110.645 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.449 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 0.8 OUTLIER -61.54 -38.32 79.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.148 176.822 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.34 -40.35 93.56 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.229 0.538 . . . . 0.0 109.746 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 658' ' ' TYR . 7.0 mtpm? -65.12 -40.45 94.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.525 177.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.56 -48.03 82.84 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 93.9 mt -59.26 -40.6 86.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.047 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -60.55 -50.66 72.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.421 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.585 -178.674 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.427 HD12 HG13 ' A' ' 660' ' ' ILE . 5.8 mp . . . . . 0 CA--C 1.53 0.186 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.22 135.04 52.44 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.574 2.85 . . . . 0.0 114.152 -172.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 847' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' B' ' 850' ' ' MET . 19.2 m -59.67 -37.76 79.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.038 177.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.99 -43.42 86.55 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.864 -176.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 19.9 mm -64.42 -39.18 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.451 ' HE2' ' HA ' ' B' ' 850' ' ' MET . 32.5 mmt . . . . . 0 N--CA 1.463 0.204 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.751 175.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 8.9 p80 . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 84.6 t -128.07 129.6 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 170.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.496 HG21 ' H ' ' A' ' 599' ' ' LEU . 4.0 t -90.41 160.38 16.08 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.085 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -64.25 -39.78 94.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.966 0.412 . . . . 0.0 110.057 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -56.62 -40.88 76.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.824 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.555 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 15.1 tp -60.0 -44.47 94.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.228 0.537 . . . . 0.0 110.162 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -64.72 -49.7 69.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.791 -175.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 24.8 p -66.09 -41.65 90.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.651 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -61.36 -43.89 98.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.942 -175.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 92.4 mt -61.3 -37.17 82.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.783 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.44 HG11 ' HZ3' ' A' ' 633' ' ' LYS . 73.4 t -58.9 -40.38 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.133 0.492 . . . . 0.0 110.379 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.417 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 12.4 m-70 -62.95 -39.22 93.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.393 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -56.81 -44.45 82.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.52 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.91 -44.53 89.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.244 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.406 HG13 HD13 ' A' ' 628' ' ' LEU . 92.4 t -60.15 -48.17 89.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.063 176.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 15.0 mm100 -58.17 -38.52 76.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.993 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.35 -38.93 72.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.033 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.406 ' CG1' HD12 ' A' ' 660' ' ' ILE . 32.4 mt -78.47 -38.98 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -157.83 100.8 1.81 Allowed Pre-proline 0 CA--C 1.53 0.174 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -171.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -80.43 -31.49 1.59 Allowed 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 122.212 1.941 . . . . 0.0 113.679 -172.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 13.5 p -83.68 111.77 34.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -175.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -81.15 82.56 2.4 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.061 2.507 . . . . 0.0 112.255 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -70.13 128.56 91.45 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.133 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.0 -26.5 75.31 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.183 2.589 . . . . 0.0 113.946 -177.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -89.31 -50.94 5.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 0.0 110.458 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -56.04 -26.69 50.12 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.44 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -26.92 69.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.05 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . 0.419 ' HZ1' ' HB3' ' A' ' 621' ' ' LYS . 9.3 mtpm? -104.51 16.01 26.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.252 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -99.94 135.45 41.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.155 0.502 . . . . 0.0 110.235 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -56.37 -38.36 71.35 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.698 -174.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -59.88 -41.74 92.23 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.8 0.333 . . . . 0.0 110.75 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.542 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 5.3 tpp -62.83 -40.69 98.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.664 175.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.16 -38.94 92.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.921 -178.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.95 -43.14 91.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.044 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.0 OUTLIER -67.81 -38.39 83.22 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.056 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.443 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 94.6 t -64.81 -43.74 96.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.187 0.517 . . . . 0.0 109.848 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -59.32 -38.6 80.7 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.233 176.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -57.74 -41.07 81.15 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.506 0.193 . . . . 0.0 110.777 177.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.42 -42.96 95.76 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.936 0.398 . . . . 0.0 110.589 177.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.644 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 37.9 mmtm -52.56 -50.99 61.83 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.026 171.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -55.44 -45.23 76.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.901 175.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.537 ' O ' ' HG2' ' A' ' 639' ' ' MET . 16.3 t -54.05 -49.61 59.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.697 177.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.644 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 4.4 pt-20 -56.09 -40.35 73.52 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.572 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.66 -48.2 75.29 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.519 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.62 -45.6 89.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.945 0.403 . . . . 0.0 111.009 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.548 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 19.9 mmt -61.63 -36.24 80.21 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.379 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -49.36 -36.85 22.72 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.809 0.693 . . . . 0.0 112.577 -172.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -66.03 -51.0 62.2 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.39 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 642' ' ' SER . . . . . 0.534 ' C ' ' H ' ' A' ' 644' ' ' ASN . 15.1 m -64.65 -37.88 89.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.0 178.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -54.88 21.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.485 1.514 . . . . 0.0 114.903 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.534 ' H ' ' C ' ' A' ' 642' ' ' SER . 1.3 t30 -82.74 19.7 1.28 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 70.1 p -155.66 146.76 22.48 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -57.11 -47.8 80.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.799 0.333 . . . . 0.0 111.165 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.51 -46.59 89.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.72 -176.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.2 -45.1 89.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.963 -177.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -49.87 74.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -175.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -64.88 -38.29 90.49 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -64.83 -46.87 80.1 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.881 0.372 . . . . 0.0 110.513 -174.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.548 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 80.7 mt -59.92 -49.26 78.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.546 -177.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.57 ' O ' HG13 ' A' ' 657' ' ' ILE . 5.3 mt -63.68 -44.67 93.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.871 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -58.25 -45.71 87.31 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.627 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 19.1 tt0 -56.35 -44.18 79.83 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.61 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -61.01 -40.53 93.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.525 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.57 HG13 ' O ' ' A' ' 653' ' ' LEU . 31.2 mt -62.75 -39.87 86.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.946 0.403 . . . . 0.0 109.97 -178.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -64.38 -39.29 93.57 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.274 175.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 74.9 mmtt -59.2 -41.12 87.79 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.161 0.505 . . . . 0.0 110.201 177.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.52 HG13 HD13 ' B' ' 845' ' ' LEU . 0.2 OUTLIER -56.66 -37.91 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.232 176.35 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 665' ' ' GLU . 75.5 mt-30 -65.15 -41.29 94.89 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -173.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . 0.487 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 97.2 mttt -65.54 -45.69 82.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.65 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -57.11 -49.4 76.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 94.7 mt -58.95 -44.1 91.38 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.1 -177.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 661' ' ' GLN . 23.9 mm-40 -64.74 -47.0 79.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.269 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 662' ' ' LYS . 72.7 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.072 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.52 HD13 HG13 ' A' ' 660' ' ' ILE . 5.3 mp . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.26 131.43 43.18 Favored 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 123.034 2.489 . . . . 0.0 112.247 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.7 t -55.31 -38.83 69.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.272 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -55.29 -47.97 74.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.786 -177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 29.8 mm -64.98 -40.45 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.161 0.505 . . . . 0.0 110.463 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.508 ' SD ' HG12 ' A' ' 660' ' ' ILE . 2.6 mmt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.378 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 1.7 p80 . . . . . 0 N--CA 1.466 0.363 0 CA-C-O 120.782 0.325 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 73.6 t -134.79 133.48 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 168.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.546 HG21 ' H ' ' A' ' 599' ' ' LEU . 3.5 t -90.62 153.83 20.03 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.371 175.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -63.56 -39.01 93.3 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -55.6 -38.23 69.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.685 178.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.586 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 16.8 tp -56.21 -49.41 74.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.328 177.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -64.99 -43.97 90.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.543 -178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 12.0 p -64.42 -38.92 92.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.881 0.372 . . . . 0.0 110.539 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -61.0 -44.16 97.82 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.21 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 55.8 mt -62.49 -37.15 84.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.305 -178.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.58 -44.61 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.93 0.395 . . . . 0.0 110.241 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -64.74 -40.29 95.07 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.02 -40.31 73.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.386 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.41 -50.09 68.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.042 176.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 92.9 t -56.28 -49.02 78.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.504 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.47 -37.52 78.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.792 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -55.62 -39.41 70.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.731 0.3 . . . . 0.0 110.939 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 28.8 mt -83.2 -32.29 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.536 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -156.19 91.34 2.64 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -172.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . 0.465 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 57.9 Cg_endo -81.43 -25.04 4.03 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.301 2.001 . . . . 0.0 113.108 -174.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 23.2 p -86.59 106.58 10.82 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.648 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 6.2 Cg_exo -81.56 82.64 2.32 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.122 2.548 . . . . 0.0 112.024 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.424 ' HB3' ' HB1' ' A' ' 619' ' ' ALA . 26.8 t70 -69.23 130.99 90.67 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.72 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.78 -26.65 48.68 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.27 2.647 . . . . 0.0 113.761 -176.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -93.92 -52.36 4.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.702 0.286 . . . . 0.0 110.902 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 616' ' ' ASP . . . -57.01 -27.18 61.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.341 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.439 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -60.44 -26.43 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.459 0.647 . . . . 0.0 109.618 178.086 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -101.53 17.83 21.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.897 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -90.66 133.68 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.123 0.487 . . . . 0.0 110.368 -176.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -55.95 -39.41 71.69 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -63.68 -38.95 93.03 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.43 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.439 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 43.1 ttm -57.6 -38.74 75.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.002 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.84 -38.78 83.06 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.079 0.466 . . . . 0.0 110.141 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . 0.431 ' N ' HD21 ' A' ' 627' ' ' ASN . 0.9 OUTLIER -62.01 -39.8 93.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.683 177.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -41.82 86.67 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.434 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 69.1 t -65.81 -41.59 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.353 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -60.79 -39.19 87.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.765 176.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -64.9 -38.22 90.24 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 175.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.63 97.24 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.005 0.431 . . . . 0.0 109.851 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.58 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 29.6 mmtp -57.91 -49.92 75.12 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.578 0.704 . . . . 0.0 111.16 173.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -54.78 -46.24 74.4 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.841 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.569 ' O ' ' HG2' ' A' ' 639' ' ' MET . 8.0 t -56.71 -50.63 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.488 175.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.5 OUTLIER -58.69 -38.52 78.44 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.501 -178.479 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -62.95 -46.59 93.25 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.379 178.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -63.89 -43.54 95.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.126 0.488 . . . . 0.0 110.341 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.569 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 20.5 mmt -64.16 -38.0 89.49 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.754 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -51.94 -36.89 50.82 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.623 0.577 . . . . 0.0 111.773 -177.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.24 -49.12 68.3 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.548 176.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 642' ' ' SER . . . . . 0.495 ' C ' ' H ' ' A' ' 644' ' ' ASN . 18.7 m -64.69 -37.16 86.65 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.987 178.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . 0.421 ' C ' ' H ' ' A' ' 645' ' ' SER . . . -51.0 20.8 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 116.423 2.009 . . . . 0.0 116.423 -179.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.495 ' H ' ' C ' ' A' ' 642' ' ' SER . 0.2 OUTLIER -77.29 17.26 0.5 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 -177.83 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 645' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 643' ' ' ALA . 68.1 m -155.39 135.3 12.84 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -54.59 -49.93 69.23 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.662 0.268 . . . . 0.0 111.557 -176.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.89 -40.18 96.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -176.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -64.6 -46.33 83.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.907 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.11 -49.37 74.05 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -178.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.423 ' HH ' HD13 ' A' ' 599' ' ' LEU . 44.6 m-85 -64.73 -38.89 92.52 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -65.89 -45.35 82.35 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.772 -174.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.25 -49.87 75.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.122 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.585 ' O ' HG13 ' A' ' 657' ' ' ILE . 11.0 mt -62.81 -46.86 86.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.056 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.02 74.0 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.84 -40.5 95.52 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.392 0.615 . . . . 0.0 109.92 -178.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.446 ' HG2' HD13 ' B' ' 845' ' ' LEU . 13.0 ttpp -61.08 -43.28 99.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.447 178.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 653' ' ' LEU . 87.1 mt -60.55 -44.99 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.654 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . 0.408 ' CD2' ' HE3' ' A' ' 662' ' ' LYS . 3.3 t80 -61.09 -37.1 81.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -55.2 -45.55 75.85 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 110.905 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.433 HD11 HG22 ' A' ' 660' ' ' ILE . 0.4 OUTLIER -64.3 -38.46 82.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.048 177.146 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -65.64 -38.27 88.89 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . 0.408 ' HE3' ' CD2' ' A' ' 658' ' ' TYR . 98.8 mttt -60.56 -43.13 97.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.262 177.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -59.17 -46.85 87.31 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.418 176.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.36 -45.11 94.66 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.165 0.29 . . . . 0.0 111.003 -178.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -64.55 -49.26 71.93 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.799 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.71 -175.898 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.446 HD13 ' HG2' ' A' ' 656' ' ' LYS . 5.1 mp . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.84 130.72 35.41 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.17 2.58 . . . . 0.0 113.355 -176.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 847' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' B' ' 850' ' ' MET . 46.8 m -55.74 -36.77 67.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.83 177.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -55.23 -41.14 71.7 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -177.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 16.4 mm -64.58 -38.48 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.435 ' HE2' ' HA ' ' B' ' 850' ' ' MET . 4.6 mmt . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.578 175.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 121.187 0.518 . . . . 0.0 111.571 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 61.0 t -138.0 133.97 44.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.54 HG21 ' H ' ' A' ' 599' ' ' LEU . 4.0 t -92.07 156.42 17.4 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.27 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -63.9 -38.75 92.22 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -55.8 -39.47 71.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.753 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.592 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 19.8 tp -56.28 -49.97 72.74 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.719 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -64.91 -44.12 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.604 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 17.7 p -64.88 -39.16 93.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.936 0.398 . . . . 0.0 110.198 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -56.28 -47.83 77.84 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.331 175.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 37.7 mt -62.22 -38.53 89.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.147 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.439 ' O ' HG22 ' A' ' 608' ' ' VAL . 53.0 t -64.28 -49.69 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.333 . . . . 0.0 110.535 -178.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -65.38 -40.0 92.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.949 0.404 . . . . 0.0 110.316 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -61.64 -39.54 91.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.482 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.88 -44.94 91.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.79 176.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.442 HG12 HD12 ' A' ' 628' ' ' LEU . 94.7 t -55.76 -45.81 79.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 121.029 0.443 . . . . 0.0 110.783 173.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -55.73 -39.91 71.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.209 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.64 92.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.48 178.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.2 mt -78.14 -27.7 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.511 -177.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -148.13 89.78 5.16 Favored Pre-proline 0 C--N 1.328 -0.363 0 C-N-CA 121.236 -0.185 . . . . 0.0 110.578 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -77.22 -36.84 1.21 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 121.733 1.622 . . . . 0.0 112.605 -176.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 35.3 p -64.91 126.04 90.29 Favored Pre-proline 0 C--O 1.235 0.325 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 6.0 Cg_exo -81.67 76.12 4.51 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.999 2.466 . . . . 0.0 111.352 174.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -86.01 113.74 53.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.951 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -54.06 -32.94 71.38 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 123.108 2.538 . . . . 0.0 113.278 -176.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -71.27 -50.95 27.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.506 178.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -59.14 -32.49 69.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.878 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -36.69 74.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.144 0.497 . . . . 0.0 110.226 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -103.23 16.43 26.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.985 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -99.37 131.94 45.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.905 0.383 . . . . 0.0 110.1 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -54.96 -34.76 63.58 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.943 177.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -53.15 -38.53 62.81 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 121.214 -0.194 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.533 ' O ' HG21 ' A' ' 629' ' ' VAL . 38.7 ttm -62.07 -38.34 88.43 Favored 'General case' 0 CA--C 1.527 0.085 0 CA-C-O 120.626 0.25 . . . . 0.0 110.736 178.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -58.04 -39.34 78.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.406 -177.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . 0.452 ' N ' HD21 ' A' ' 627' ' ' ASN . 0.9 OUTLIER -61.83 -48.69 79.46 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.084 -179.586 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.442 HD12 HG12 ' A' ' 608' ' ' VAL . 1.1 pp -66.15 -36.78 84.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.143 -178.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 625' ' ' MET . 81.8 t -63.62 -40.62 89.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.061 0.458 . . . . 0.0 110.068 176.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -58.24 -38.72 77.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.259 177.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -60.19 -39.3 86.02 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.6 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.94 99.03 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.936 0.398 . . . . 0.0 110.349 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 630' ' ' ALA . 30.0 mmtp -54.44 -49.57 69.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.953 173.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -55.25 -47.89 74.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.338 176.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.632 ' O ' ' HG2' ' A' ' 639' ' ' MET . 16.8 t -55.86 -51.34 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.648 176.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.6 OUTLIER -60.16 -39.34 86.08 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.544 -178.085 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -61.84 -45.25 96.59 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.597 177.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -64.18 -44.98 90.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.053 0.454 . . . . 0.0 110.901 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.632 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 21.9 mmt -63.92 -36.01 82.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.521 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -49.67 -38.16 31.59 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.16 -173.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.47 -50.68 62.49 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 120.304 -0.559 . . . . 0.0 110.884 177.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 642' ' ' SER . . . . . 0.518 ' C ' ' H ' ' A' ' 644' ' ' ASN . 9.3 m -64.3 -36.96 85.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.214 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.91 21.21 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.782 1.633 . . . . 0.0 115.318 178.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.518 ' H ' ' C ' ' A' ' 642' ' ' SER . 4.2 t-20 -70.18 -9.87 57.08 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 25.6 m -132.34 142.57 49.38 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -55.5 -50.53 69.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.718 0.294 . . . . 0.0 111.606 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -62.39 -40.93 98.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.987 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.26 -47.14 86.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.812 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.85 -49.99 73.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.205 -175.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -64.21 -37.99 89.46 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 120.713 0.292 . . . . 0.0 111.654 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -64.3 -49.06 73.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.909 -174.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.572 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 75.8 mt -61.39 -50.31 73.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.132 -176.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 603' ' ' LEU . 9.1 mt -61.75 -44.51 96.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.122 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.52 -47.25 79.74 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.662 -178.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 17.4 tt0 -59.71 -47.79 84.25 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.644 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 30.1 mmmt -63.63 -41.08 98.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.584 -176.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.524 ' O ' ' HG3' ' A' ' 661' ' ' GLN . 75.6 mt -62.31 -43.83 98.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -64.54 -39.05 93.04 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.751 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 74.5 mmtt -60.81 -45.14 95.59 Favored 'General case' 0 C--O 1.23 0.078 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.607 -177.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.502 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 1.4 mt -63.86 -38.13 81.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.899 177.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 40.2 mt-30 -65.36 -39.53 92.46 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -63.23 -40.13 96.58 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.089 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -61.12 -42.54 98.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.193 177.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 83.5 mt -56.49 -45.36 81.04 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 110.647 179.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.27 -39.37 93.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.052 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.832 178.227 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.492 HD13 HG13 ' A' ' 660' ' ' ILE . 3.7 mp . . . . . 0 N--CA 1.456 -0.139 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -47.33 118.79 3.09 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.917 3.078 . . . . 0.0 113.944 -176.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 847' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' B' ' 850' ' ' MET . 22.3 t -55.66 -35.33 65.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.386 177.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -53.63 -39.92 65.39 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -174.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 26.7 mm -64.38 -39.21 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.443 ' HB2' ' O ' ' B' ' 847' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.115 174.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 13.5 p80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.038 0.446 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 46.0 t -130.03 129.23 65.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 167.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.494 HG21 ' H ' ' A' ' 599' ' ' LEU . 2.8 t -96.54 163.53 12.99 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.56 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -62.99 -39.63 95.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.175 0.512 . . . . 0.0 109.877 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -58.16 -38.85 77.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.834 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.494 ' H ' HG21 ' A' ' 596' ' ' THR . 17.4 tp -55.46 -49.82 71.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.841 0.353 . . . . 0.0 110.447 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.427 ' HG2' ' OH ' ' A' ' 649' ' ' TYR . 38.1 mtm180 -65.12 -47.15 78.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.973 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 601' ' ' SER . . . . . 0.408 ' O ' ' HD2' ' A' ' 605' ' ' HIS . 21.0 p -65.0 -39.68 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.463 0.173 . . . . 0.0 111.216 -176.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -55.64 -43.98 76.73 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.157 0.503 . . . . 0.0 110.251 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.441 HD13 ' CD1' ' A' ' 653' ' ' LEU . 46.7 mt -64.23 -36.42 84.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.147 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.18 -43.9 94.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.96 0.41 . . . . 0.0 110.269 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.408 ' HD2' ' O ' ' A' ' 601' ' ' SER . 71.8 m-70 -62.19 -38.78 90.41 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.534 178.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -60.08 -40.5 89.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.684 0.278 . . . . 0.0 110.809 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.76 -45.26 87.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.891 178.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.432 HG13 HD11 ' A' ' 628' ' ' LEU . 99.1 t -58.6 -46.88 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.22 0.534 . . . . 0.0 110.606 175.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -55.45 -40.68 71.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.946 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.21 95.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.605 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 39.8 mt -78.61 -33.46 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.786 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -154.43 102.81 2.38 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.767 -172.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -81.86 -38.19 0.22 Allowed 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 122.161 1.907 . . . . 0.0 113.139 -175.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 22.9 p -73.11 111.39 11.38 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -81.2 68.73 8.15 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.078 2.519 . . . . 0.0 111.345 176.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -69.56 129.02 91.83 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.949 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -56.15 -26.28 59.52 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.137 2.558 . . . . 0.0 113.715 -176.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -85.91 -47.61 9.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -59.04 -30.88 68.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.47 176.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -31.28 72.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.178 0.513 . . . . 0.0 109.699 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -97.55 15.14 24.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.687 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . 0.4 ' OD2' ' HB2' ' A' ' 624' ' ' ARG . 16.0 t70 -99.87 133.54 44.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 -176.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . 0.408 ' HD3' ' OE1' ' A' ' 626' ' ' GLU . 34.4 mmt180 -56.68 -37.68 71.2 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.954 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.4 ' HB2' ' OD2' ' A' ' 622' ' ' ASP . 19.9 mtp180 -64.6 -38.84 92.38 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.637 -174.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.413 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 40.6 ttm -57.09 -39.41 74.96 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.923 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . 0.408 ' OE1' ' HD3' ' A' ' 623' ' ' ARG . 48.4 mt-10 -61.34 -38.38 86.69 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.631 0.253 . . . . 0.0 110.631 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . 0.463 ' N ' HD21 ' A' ' 627' ' ' ASN . 0.9 OUTLIER -60.06 -42.49 94.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 -179.189 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.432 HD11 HG13 ' A' ' 608' ' ' VAL . 0.7 OUTLIER -67.44 -38.88 85.21 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 78.4 t -65.52 -45.44 92.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.296 0.569 . . . . 0.0 109.785 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.487 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -60.47 -37.63 81.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.705 176.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -62.02 -39.17 91.37 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.71 99.35 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.779 0.323 . . . . 0.0 110.185 176.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.682 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 30.2 mmtp -55.24 -49.42 72.07 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.488 0.661 . . . . 0.0 111.605 172.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -54.79 -45.02 74.25 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.286 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.47 ' O ' ' HG2' ' A' ' 639' ' ' MET . 9.2 t -56.62 -51.45 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.124 175.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.682 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 1.5 pp20? -56.42 -39.69 73.47 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 120.617 0.246 . . . . 0.0 110.922 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.42 -48.49 73.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.386 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.45 -42.34 96.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 111.056 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.47 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 24.2 mmt -57.77 -39.19 76.86 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.298 177.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -51.57 -37.05 47.96 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.7 0.625 . . . . 0.0 111.773 -173.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.53 -50.27 63.76 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.798 178.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 642' ' ' SER . . . . . 0.533 ' C ' ' H ' ' A' ' 644' ' ' ASN . 2.9 t -66.03 -37.68 86.49 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.893 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . 0.453 ' C ' ' H ' ' A' ' 645' ' ' SER . . . -55.84 21.61 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.813 1.645 . . . . 0.0 114.82 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.533 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.8 t30 -79.41 23.23 0.4 Allowed 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.623 0.725 . . . . 0.0 109.677 -175.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 645' ' ' SER . . . . . 0.453 ' H ' ' C ' ' A' ' 643' ' ' ALA . 70.4 m -159.92 134.89 7.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -54.76 -51.08 66.8 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -171.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -63.46 -40.97 98.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.296 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.593 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 43.9 tt0 -59.34 -46.5 88.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.398 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . 0.427 ' OH ' ' HG2' ' A' ' 600' ' ' ARG . 2.6 t80 -55.9 -49.69 72.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.245 -177.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -65.41 -38.79 90.99 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -65.33 -42.69 92.65 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.552 -177.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 83.1 mt -60.3 -49.45 77.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.869 -175.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.441 ' CD1' HD13 ' A' ' 603' ' ' LEU . 8.0 mt -64.68 -48.93 72.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.212 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.86 96.31 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.767 0.318 . . . . 0.0 111.758 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 25.3 tt0 -63.75 -42.01 97.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.152 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.599 ' CG ' HD11 ' B' ' 845' ' ' LEU . 23.3 ttmm -60.87 -44.33 97.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 177.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 653' ' ' LEU . 79.0 mt -64.07 -42.49 95.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -61.6 -37.99 85.96 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 75.0 mmtt -59.22 -47.52 85.05 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.765 0.317 . . . . 0.0 110.292 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.566 HG12 ' SD ' ' B' ' 850' ' ' MET . 0.2 OUTLIER -61.74 -37.52 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.737 177.694 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -65.0 -42.36 94.57 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -65.91 -40.59 91.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.835 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -62.45 -43.52 98.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.126 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 85.2 mt -61.27 -49.03 78.73 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.166 0.291 . . . . 0.0 111.2 -178.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.27 -38.99 91.99 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.32 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.014 177.812 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.599 HD11 ' CG ' ' A' ' 656' ' ' LYS . 6.3 mp . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.39 0.138 . . . . 0.0 110.687 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.62 135.57 56.21 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.411 2.74 . . . . 0.0 112.889 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 32.5 t -55.43 -37.33 67.53 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.073 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.28 -47.58 69.04 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -172.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 22.3 mm -65.23 -39.86 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.048 0.452 . . . . 0.0 110.071 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.566 ' SD ' HG12 ' A' ' 660' ' ' ILE . 10.8 mmt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.603 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.7 p80 . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 54.9 t -139.14 131.69 37.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 118.336 0.516 . . . . 0.0 110.204 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.503 HG22 ' H ' ' A' ' 599' ' ' LEU . 4.9 t -95.48 159.4 15.01 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.626 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -62.34 -39.74 94.1 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.066 0.46 . . . . 0.0 110.213 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -57.25 -40.53 77.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.851 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.503 ' H ' HG22 ' A' ' 596' ' ' THR . 21.0 tp -56.02 -50.31 71.26 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.845 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.5 ' HD3' ' OE1' ' A' ' 636' ' ' GLU . 66.5 mtt-85 -59.14 -50.53 73.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.113 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 37.4 m -64.42 -33.94 77.04 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -65.64 -49.08 69.97 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-O 121.251 0.548 . . . . 0.0 109.761 -174.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 653' ' ' LEU . 35.9 mt -61.61 -39.01 89.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.439 -179.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 600' ' ' ARG . 53.0 t -59.22 -41.53 84.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 111.021 179.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -63.72 -38.03 89.56 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.612 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.3 -40.68 97.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.684 0.278 . . . . 0.0 110.744 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.11 -49.2 70.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.116 176.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 80.9 t -55.49 -43.49 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.082 174.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -56.6 -40.25 74.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.057 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.53 87.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 24.3 mt -79.47 -37.53 18.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.745 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -143.15 92.24 6.83 Favored Pre-proline 0 N--CA 1.451 -0.398 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -170.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -76.8 -35.58 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 121.947 1.765 . . . . 0.0 112.726 -174.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 23.1 p -63.61 111.01 4.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -176.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -82.2 73.18 5.78 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.101 2.534 . . . . 0.0 111.57 177.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.413 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 15.6 t70 -88.7 127.46 56.18 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.939 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -57.1 -32.15 92.44 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.357 2.705 . . . . 0.0 113.636 -175.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.61 -44.29 13.64 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' A' ' 622' ' ' ASP . . . -56.61 -29.9 62.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.305 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -30.02 71.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.088 0.47 . . . . 0.0 110.378 177.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -103.29 18.38 21.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.2 0.524 . . . . 0.0 110.481 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . 0.57 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 4.0 t70 -95.91 133.78 39.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.397 -173.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . 0.403 ' NH1' ' HG2' ' A' ' 626' ' ' GLU . 27.3 mmm180 -61.04 -39.31 89.34 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.083 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.57 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 20.4 ttp180 -55.08 -48.31 73.71 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 122.382 0.273 . . . . 0.0 110.727 175.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.543 ' O ' HG23 ' A' ' 629' ' ' VAL . 39.8 ttm -64.21 -40.44 96.08 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.052 175.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . 0.403 ' HG2' ' NH1' ' A' ' 623' ' ' ARG . 8.0 tp10 -60.74 -40.25 91.72 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -174.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -64.15 -41.73 97.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.566 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.0 OUTLIER -67.31 -38.76 85.47 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.086 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 625' ' ' MET . 88.4 t -64.57 -39.88 87.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.171 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -55.96 -39.19 71.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.402 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -65.05 -36.93 85.93 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . 0.532 ' O ' ' HB ' ' A' ' 635' ' ' VAL . . . -59.13 -37.64 77.74 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.169 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -63.73 -40.8 97.63 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.853 176.265 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -57.86 -38.04 75.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.818 0.342 . . . . 0.0 110.16 176.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.582 ' O ' ' HG2' ' A' ' 639' ' ' MET . 5.4 t -54.32 -49.62 62.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.977 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.0 OUTLIER -56.0 -38.57 70.66 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 178.363 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.57 -48.69 75.49 Favored Glycine 0 C--O 1.227 -0.288 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.641 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.71 -42.85 97.88 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.688 0.28 . . . . 0.0 111.664 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 19.7 mmt -59.62 -36.94 77.33 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.276 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -48.47 -37.62 17.84 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.728 -1.124 . . . . 0.0 113.121 -170.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -65.35 -53.16 47.61 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.051 0.841 . . . . 0.0 110.765 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 642' ' ' SER . . . . . 0.501 ' C ' ' H ' ' A' ' 644' ' ' ASN . 69.8 m -66.95 -39.11 87.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.676 177.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -58.83 20.02 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.501 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.3 t-20 -68.97 0.69 4.17 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.928 0.394 . . . . 0.0 110.519 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 45.1 p -137.42 150.46 47.66 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -57.78 -50.35 73.54 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.622 0.231 . . . . 0.0 111.622 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.47 -42.56 96.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.432 -175.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.6 tp10 -59.64 -41.89 91.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.612 -178.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -47.72 80.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.059 -175.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -64.16 -39.54 94.24 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.059 0.457 . . . . 0.0 110.88 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -65.52 -46.87 77.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.324 -172.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 39.8 mt -59.35 -49.94 75.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.307 -178.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 603' ' ' LEU . 10.6 mt -60.88 -46.85 88.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.926 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.89 84.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.744 0.307 . . . . 0.0 111.613 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -63.37 -49.02 75.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.577 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.421 ' HG2' HD13 ' B' ' 845' ' ' LEU . 31.3 ttmt -65.55 -40.21 92.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.457 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 653' ' ' LEU . 78.5 mt -64.44 -40.48 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.641 0.258 . . . . 0.0 110.831 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -61.9 -37.17 83.64 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -55.7 -45.13 77.91 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-O 120.873 0.368 . . . . 0.0 110.41 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.601 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 0.1 OUTLIER -59.0 -38.34 73.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.034 177.692 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -65.78 -38.47 89.1 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.993 0.425 . . . . 0.0 110.06 -176.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -65.17 -46.99 78.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.451 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -65.2 -44.72 87.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.586 -177.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 89.7 mt -58.89 -44.95 91.3 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.735 0.302 . . . . 0.0 110.285 178.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -60.21 -42.37 94.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.302 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.295 -177.222 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.422 HD11 HG13 ' A' ' 660' ' ' ILE . 5.7 mp . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.28 129.91 10.86 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.831 3.021 . . . . 0.0 113.494 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 36.9 p -54.35 -36.83 64.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.982 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -54.62 -47.98 72.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.785 -178.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 28.0 mm -65.67 -40.85 89.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.038 0.447 . . . . 0.0 110.462 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.243 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.601 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.47 0.526 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 42.9 t -128.82 131.4 68.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 O-C-N 121.846 -0.534 . . . . 0.0 111.056 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.48 HG21 ' H ' ' A' ' 599' ' ' LEU . 4.3 t -95.92 161.75 13.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.826 176.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -64.49 -39.73 94.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.521 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -56.23 -38.84 71.61 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.878 177.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.48 ' H ' HG21 ' A' ' 596' ' ' THR . 14.0 tp -54.55 -45.71 73.51 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.056 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -64.25 -49.64 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.375 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 50.6 p -64.72 -40.34 95.17 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.565 -173.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -58.13 -42.52 85.97 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.052 0.453 . . . . 0.0 110.354 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.44 HD12 ' CD1' ' A' ' 653' ' ' LEU . 36.5 mt -64.12 -37.41 87.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.844 178.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.499 HG13 ' HZ1' ' A' ' 633' ' ' LYS . 73.7 t -64.23 -43.1 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.763 -177.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -64.34 -39.86 94.72 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.145 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -62.58 -39.93 95.26 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.406 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.52 -48.03 83.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.121 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 90.8 t -61.26 -44.75 98.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 176.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.34 -39.36 72.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.852 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.1 84.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.588 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 25.2 mt -83.85 -32.41 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.743 -175.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -156.73 93.11 2.4 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -176.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . 0.445 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 42.6 Cg_endo -74.54 -32.38 6.2 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 121.95 1.767 . . . . 0.0 113.676 -169.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 23.6 p -81.8 108.68 11.85 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 3.7 Cg_exo -79.6 73.15 6.15 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.128 2.552 . . . . 0.0 111.521 177.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.34 127.82 93.54 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.249 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.44 -26.25 52.72 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.299 2.666 . . . . 0.0 113.861 -175.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.05 -51.99 7.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.187 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -57.77 -28.04 63.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.343 175.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -29.09 69.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.044 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -104.35 15.9 27.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.313 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -90.49 127.0 36.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.067 0.461 . . . . 0.0 109.888 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -56.62 -37.02 70.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.47 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -61.75 -38.97 89.94 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.227 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.419 ' O ' HG22 ' A' ' 629' ' ' VAL . 41.3 ttm -57.39 -37.91 73.42 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.765 175.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -58.21 -39.28 78.62 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . 0.485 ' N ' HD21 ' A' ' 627' ' ' ASN . 0.9 OUTLIER -59.67 -40.18 86.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.337 177.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -38.78 84.13 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.491 177.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.628 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 89.0 t -63.29 -45.19 98.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.599 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.24 93.22 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.639 176.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -58.05 -41.35 83.12 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.08 79.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.844 0.354 . . . . 0.0 110.396 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.649 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 40.3 mmtm -54.88 -51.88 64.57 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.186 175.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -56.22 -47.69 77.93 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.602 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.514 ' O ' ' HG2' ' A' ' 639' ' ' MET . 12.8 t -56.53 -51.12 69.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.467 175.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.649 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.2 OUTLIER -58.65 -39.05 79.48 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.599 -179.553 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.45 -47.6 82.48 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.58 177.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -64.9 -46.49 81.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.675 0.274 . . . . 0.0 110.478 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.7 mmt -55.78 -36.06 66.95 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.912 177.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -52.3 -37.39 55.61 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.649 -176.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.28 -45.26 77.14 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.411 0.624 . . . . 0.0 110.31 176.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 642' ' ' SER . . . . . 0.506 ' C ' ' H ' ' A' ' 644' ' ' ASN . 0.6 OUTLIER -63.44 -35.94 82.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.526 178.407 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.49 23.52 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.028 1.731 . . . . 0.0 115.036 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.506 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.7 t-20 -69.2 -0.46 6.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.835 0.35 . . . . 0.0 110.649 -175.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 27.6 p -148.89 145.46 27.46 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.186 174.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -55.36 -50.92 68.43 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -173.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -61.7 -42.94 99.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.08 -176.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.492 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 44.7 tt0 -61.23 -44.97 96.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.671 -178.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -56.72 -49.8 74.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.357 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.41 ' OH ' HD13 ' A' ' 599' ' ' LEU . 37.3 m-85 -67.39 -39.49 85.61 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 121.005 0.431 . . . . 0.0 110.704 -176.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -65.94 -43.12 88.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.738 -174.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 80.7 mt -62.42 -49.0 77.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.187 -177.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.5 ' O ' HG13 ' A' ' 657' ' ' ILE . 7.7 mt -63.65 -45.79 88.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 178.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.85 99.46 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.558 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -61.07 -40.44 93.68 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.431 ' O ' HG13 ' A' ' 660' ' ' ILE . 57.4 tttp -61.36 -43.89 98.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.096 176.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 653' ' ' LEU . 74.4 mt -62.77 -43.99 99.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 0.0 110.46 -178.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -65.07 -38.89 92.26 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -55.9 -48.55 75.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.049 0.452 . . . . 0.0 110.21 174.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.499 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 86.2 mt -59.76 -49.41 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.775 177.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -59.3 -38.32 79.94 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -62.48 -45.48 92.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.259 177.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -64.62 -38.92 92.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.814 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 90.8 mt -61.43 -40.92 96.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.161 0.505 . . . . 0.0 110.253 176.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.06 -41.69 86.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.297 0.57 . . . . 0.0 110.026 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.606 -177.12 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.748 0.309 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -73.39 171.5 17.57 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.866 2.377 . . . . 0.0 112.678 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 16.6 m -55.63 -50.35 70.41 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -168.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.7 -40.73 95.87 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -170.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 25.6 mm -63.84 -41.59 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.279 0.561 . . . . 0.0 109.755 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.404 ' CE ' ' HA ' ' B' ' 850' ' ' MET . 3.2 mmt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.401 176.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 121.05 0.453 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 72.9 t -134.36 132.83 55.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.831 -0.804 . . . . 0.0 108.831 169.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.447 HG21 ' H ' ' A' ' 599' ' ' LEU . 3.2 t -91.96 156.58 17.34 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.791 0.329 . . . . 0.0 110.83 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -64.37 -38.39 90.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.01 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.53 -38.8 69.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.356 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.507 HD12 ' HH ' ' A' ' 650' ' ' TYR . 15.9 tp -58.09 -49.89 75.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.619 177.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -64.91 -46.67 80.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.461 -178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 601' ' ' SER . . . . . 0.511 ' O ' ' HD2' ' A' ' 605' ' ' HIS . 23.2 p -63.44 -40.47 97.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.268 -175.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -39.42 94.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.018 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.499 HD13 ' CD1' ' A' ' 653' ' ' LEU . 39.7 mt -65.07 -38.0 89.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.755 -178.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.458 HG12 ' HZ1' ' A' ' 633' ' ' LYS . 70.5 t -63.68 -45.71 96.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.886 0.375 . . . . 0.0 110.612 -177.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.511 ' HD2' ' O ' ' A' ' 601' ' ' SER . 69.6 m-70 -62.53 -38.36 89.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.514 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -60.31 -40.65 91.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.743 0.306 . . . . 0.0 110.963 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.25 -41.08 94.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.058 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.458 HG13 HD11 ' A' ' 628' ' ' LEU . 70.2 t -61.55 -44.04 97.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.984 0.421 . . . . 0.0 110.197 174.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.1 -38.82 73.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.685 177.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.61 -39.18 79.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.76 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 23.7 mt -82.79 -35.14 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.355 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -155.55 101.93 2.2 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 -172.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . 0.401 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 62.0 Cg_endo -80.77 -31.9 1.29 Allowed 'Trans proline' 0 CA--C 1.528 0.219 0 C-N-CA 122.087 1.858 . . . . 0.0 112.981 -175.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 22.6 p -81.52 110.8 20.8 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -176.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 2.7 Cg_exo -79.01 77.64 4.02 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.001 2.467 . . . . 0.0 111.619 176.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.43 ' HB3' ' HB2' ' A' ' 619' ' ' ALA . 14.3 t70 -71.11 129.15 89.66 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.892 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.94 -26.56 49.65 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.51 2.807 . . . . 0.0 113.839 -175.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -92.78 -47.06 7.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.937 0.399 . . . . 0.0 110.423 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . 0.43 ' HB2' ' HB3' ' A' ' 616' ' ' ASP . . . -57.58 -28.72 63.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.742 178.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -33.22 71.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.092 0.472 . . . . 0.0 110.732 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -100.94 18.3 19.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.111 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . 0.471 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 16.5 t70 -94.67 130.11 41.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.189 0.518 . . . . 0.0 111.153 -174.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' A' ' 626' ' ' GLU . 26.8 mmt180 -59.98 -38.85 83.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.117 -178.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.471 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 10.2 ttp180 -57.22 -46.61 82.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.96 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.497 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 41.1 ttm -60.21 -37.79 81.35 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.571 0.224 . . . . 0.0 110.838 175.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 623' ' ' ARG . 14.1 tp10 -54.75 -39.49 68.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.849 -177.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.04 -44.28 91.75 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.312 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 625' ' ' MET . 0.9 OUTLIER -67.76 -38.43 83.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.381 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.491 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 60.1 t -64.43 -40.92 90.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.846 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -58.9 -39.01 80.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.164 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.44 -38.29 90.5 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.33 95.28 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.931 0.396 . . . . 0.0 110.084 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 629' ' ' VAL . 33.0 mmtm -55.71 -50.77 69.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.586 0.707 . . . . 0.0 111.41 172.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -55.22 -42.42 73.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.804 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.558 ' O ' ' HG2' ' A' ' 639' ' ' MET . 20.1 t -55.52 -48.49 77.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 175.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -55.97 -45.4 78.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.618 0.247 . . . . 0.0 110.673 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.05 -49.18 74.02 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.546 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.97 -46.1 86.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.963 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.6 mmt -62.65 -36.02 81.5 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.876 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -50.17 -37.91 37.03 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 123.631 0.582 . . . . 0.0 111.598 -175.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.77 -49.81 64.71 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.135 0.493 . . . . 0.0 110.64 176.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 642' ' ' SER . . . . . 0.525 ' C ' ' H ' ' A' ' 644' ' ' ASN . 4.2 t -64.81 -37.43 87.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.169 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.53 21.09 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.525 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.8 t30 -79.94 17.51 0.96 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.211 0.529 . . . . 0.0 109.834 -176.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 37.4 p -158.92 137.95 11.28 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 172.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -54.45 -50.45 67.66 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -169.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.55 -40.34 96.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.156 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 22.8 tt0 -62.07 -45.68 92.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.356 -178.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -55.96 -49.98 72.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.16 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.507 ' HH ' HD12 ' A' ' 599' ' ' LEU . 40.4 m-85 -65.31 -39.2 92.18 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 120.537 0.208 . . . . 0.0 111.519 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -65.74 -42.8 90.57 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.788 -173.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 67.8 mt -62.55 -50.52 71.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.367 -176.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.499 ' CD1' HD13 ' A' ' 603' ' ' LEU . 9.7 mt -64.7 -47.35 78.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.25 -178.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.79 88.17 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.464 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -62.05 -42.94 99.71 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.369 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -60.29 -40.69 91.36 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.398 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 653' ' ' LEU . 58.9 mt -62.31 -42.97 97.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.282 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.11 -38.14 89.72 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.391 175.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 32.8 mmtp -57.79 -45.58 85.83 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 176.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.562 ' CD1' HD22 ' B' ' 845' ' ' LEU . 0.3 OUTLIER -59.11 -39.9 79.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 175.014 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -65.04 -39.72 93.75 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -65.53 -41.27 93.26 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.426 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 19.6 mm-40 -65.11 -49.31 70.47 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.896 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.19 -40.49 85.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.538 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -64.98 -49.61 69.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 174.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.655 -172.751 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.562 HD22 ' CD1' ' A' ' 660' ' ' ILE . 5.0 mp . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -46.1 130.65 13.7 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 124.195 3.263 . . . . 0.0 114.107 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.0 t -55.7 -38.91 70.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.351 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -60.6 -38.95 86.36 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.874 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 34.7 mm -64.64 -38.7 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 120.945 0.403 . . . . 0.0 110.164 176.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.439 ' HA ' ' HE1' ' B' ' 850' ' ' MET . 31.2 mmt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.216 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.238 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.05 -67.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.485 0.66 . . . . 0.0 110.255 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.29 -15.76 8.57 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.292 177.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.434 ' HB3' ' HZ1' ' A' ' 589' ' ' LYS . 2.4 ttpm? -114.0 100.25 8.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.993 176.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -161.26 67.62 0.25 Allowed Glycine 0 N--CA 1.438 -1.209 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.62 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.93 -52.27 6.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.416 0.627 . . . . 0.0 109.814 178.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -7.77 54.97 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.276 -0.874 . . . . 0.0 112.666 -171.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 594' ' ' HIS . 6.0 pt-20 -53.21 -42.63 66.52 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -169.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.457 ' N ' ' HG3' ' A' ' 593' ' ' GLU . 14.7 p-80 -62.13 1.01 0.34 Allowed 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.433 HG12 HD22 ' A' ' 599' ' ' LEU . 87.7 t -136.3 131.91 48.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 170.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.54 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.1 t -89.27 153.43 20.91 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.206 178.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.85 -39.54 81.59 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.85 -40.7 89.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.113 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.54 ' H ' HG23 ' A' ' 596' ' ' THR . 23.6 tp -56.1 -49.93 72.46 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 120.914 0.388 . . . . 0.0 110.495 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 600' ' ' ARG . 45.3 mtm180 -64.0 -48.99 74.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.293 -178.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 15.6 p -64.83 -40.12 94.67 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.552 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -60.38 -49.36 77.88 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.24 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.56 -38.44 89.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.737 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 37.9 t -63.87 -45.02 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.351 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -64.79 -39.72 94.06 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -57.56 -41.54 81.22 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.574 175.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.63 -49.89 74.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.859 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 89.5 t -58.87 -47.48 89.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.107 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -60.19 -39.43 86.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.19 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.74 -38.94 73.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.13 0.491 . . . . 0.0 110.416 175.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 33.7 mt -77.0 -31.58 18.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.558 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -155.71 97.57 2.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -175.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -81.06 -33.5 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.43 2.087 . . . . 0.0 113.726 -171.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 19.7 p -75.79 111.56 15.29 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.903 -0.135 . . . . 0.0 111.285 -176.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.54 88.15 1.47 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.992 2.462 . . . . 0.0 112.129 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -82.35 123.42 79.1 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.754 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.88 -27.41 78.47 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.082 2.521 . . . . 0.0 113.467 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.69 -52.22 6.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.614 0.245 . . . . 0.0 110.406 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -57.45 -29.16 63.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.593 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.591 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -61.72 -31.98 72.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.348 0.594 . . . . 0.0 110.267 177.684 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -99.03 16.39 22.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.694 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -100.58 136.61 40.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.033 0.444 . . . . 0.0 110.566 -176.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -56.05 -38.07 70.11 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.503 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -61.92 -40.73 96.49 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.736 0.303 . . . . 0.0 110.341 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.591 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 42.7 ttm -63.95 -38.81 92.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.167 175.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -63.45 -38.77 92.42 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.574 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -40.49 88.57 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.999 0.428 . . . . 0.0 110.141 176.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -39.73 84.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.714 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 625' ' ' MET . 77.6 t -64.55 -42.14 94.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.156 0.503 . . . . 0.0 109.889 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.43 88.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.185 175.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.81 -38.93 87.08 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.334 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.97 98.4 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.733 0.302 . . . . 0.0 110.546 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -38.94 92.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.886 0.374 . . . . 0.0 110.83 174.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -56.81 -45.51 82.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.152 175.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.617 ' O ' ' HG2' ' A' ' 639' ' ' MET . 7.0 t -54.95 -46.61 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.893 172.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -55.73 -43.18 76.32 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.893 0.377 . . . . 0.0 110.604 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.27 -44.72 96.57 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.793 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.54 -42.15 95.91 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.631 -0.335 . . . . 0.0 111.787 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.617 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.9 mmt -62.95 -37.9 88.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.181 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -49.77 -37.29 29.23 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -169.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.0 -51.3 59.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.146 0.885 . . . . 0.0 110.754 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' SER . . . . . 0.476 ' C ' ' H ' ' A' ' 644' ' ' ASN . 8.3 t -66.01 -39.87 90.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.579 177.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . 0.49 ' C ' ' H ' ' A' ' 645' ' ' SER . . . -57.58 20.17 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.476 ' H ' ' C ' ' A' ' 642' ' ' SER . 0.2 OUTLIER -75.6 26.65 0.11 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 118.294 0.497 . . . . 0.0 110.605 -177.234 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' SER . . . . . 0.49 ' H ' ' C ' ' A' ' 643' ' ' ALA . 68.6 m -161.09 143.67 12.51 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.358 0.663 . . . . 0.0 109.553 178.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -55.82 -50.8 69.54 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -173.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.0 -43.93 97.8 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 111.03 -176.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -56.01 -49.26 74.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.56 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -58.53 -49.15 78.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.559 -175.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.93 -40.68 91.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 110.415 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -67.06 -41.45 86.41 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.288 -173.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.631 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 63.4 mt -57.08 -52.28 65.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.425 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 657' ' ' ILE . 6.6 mt -65.8 -49.72 67.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.504 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.26 95.24 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -57.63 -46.67 83.84 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.019 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.631 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 43.8 mmtm -64.29 -39.88 94.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.519 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 653' ' ' LEU . 72.8 mt -58.91 -45.62 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.748 0.308 . . . . 0.0 110.705 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -64.86 -39.47 93.6 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 3.9 tppp? -58.19 -48.82 79.14 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.647 175.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.47 -41.97 94.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.864 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -65.05 -39.48 93.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.255 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -65.38 -40.61 93.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.48 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 6.4 mm-40 -57.26 -48.61 78.43 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.234 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.458 HD22 ' SD ' ' B' ' 850' ' ' MET . 82.3 mt -60.24 -49.38 77.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.431 -177.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -65.9 -43.38 88.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 0.0 110.804 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 669' ' ' ARG . 38.0 tt0 -61.57 -50.33 73.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.753 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -65.94 -38.62 89.13 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.195 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . 0.404 ' HD3' ' CD1' ' B' ' 854' ' ' LEU . 49.2 ttp180 -65.77 -14.68 61.82 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.834 0.826 . . . . 0.0 111.504 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' A' ' 666' ' ' GLU . 43.5 ttm180 -64.42 -30.56 71.6 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.003 176.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 33.0 t -91.2 9.87 29.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.237 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.534 ' O ' ' HB2' ' A' ' 672' ' ' LEU . 13.5 ptm180 -54.62 156.16 3.68 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.775 -0.193 . . . . 0.0 110.692 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 671' ' ' ARG . 56.1 mt . . . . . 0 C--O 1.245 0.862 0 O-C-N 123.968 0.793 . . . . 0.0 110.348 -172.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 CA--C 1.518 -0.254 0 CA-C-O 121.068 0.461 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -85.06 -10.63 56.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.413 0.625 . . . . 0.0 109.77 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 93.03 69.61 1.12 Allowed Glycine 0 N--CA 1.439 -1.114 0 CA-C-N 115.109 -0.95 . . . . 0.0 112.159 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . 0.412 ' HB3' ' HE2' ' A' ' 656' ' ' LYS . 13.1 m120 -66.81 -29.38 69.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.081 0.467 . . . . 0.0 110.304 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 4.0 mt -108.25 141.0 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 175.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' B' ' 846' ' ' PRO . 2.0 mt -77.88 134.12 64.94 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-O 120.818 0.342 . . . . 0.0 111.856 -172.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 845' ' ' LEU . 23.7 Cg_exo -63.89 162.39 29.05 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 123.091 2.527 . . . . 0.0 112.427 177.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 24.3 m -55.02 -49.21 72.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.89 -44.14 86.52 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -172.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 23.9 mm -65.16 -41.76 92.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.388 0.613 . . . . 0.0 110.013 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.458 ' SD ' HD22 ' A' ' 664' ' ' LEU . 2.6 mmt -65.19 -38.97 92.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.112 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -57.01 -37.29 71.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.436 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -54.7 -49.0 71.76 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 123.03 0.206 . . . . 0.0 111.554 -175.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 6.7 p -65.01 -39.6 86.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.291 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . 0.404 ' CD1' ' HD3' ' A' ' 668' ' ' ARG . 3.6 mm? -63.41 -38.63 91.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -73.51 -25.23 60.34 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.105 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -93.47 128.99 39.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.135 0.493 . . . . 0.0 110.915 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 32.8 m -145.74 108.21 4.37 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.09 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 123.147 2.565 . . . . 0.0 112.618 -177.52 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 111.927 -0.469 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 34.2 m -102.43 158.85 4.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.45 ' C ' ' HD2' ' A' ' 588' ' ' ARG . 6.5 ppt_? -96.02 -6.01 39.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.094 0.473 . . . . 0.0 110.554 -177.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -118.87 101.28 7.94 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.31 0.576 . . . . 0.0 109.682 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -164.1 71.99 0.19 Allowed Glycine 0 N--CA 1.434 -1.438 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -65.98 0.94 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.501 0.667 . . . . 0.0 110.55 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -79.29 -13.76 59.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.875 -171.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -46.67 82.55 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -168.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.45 8.98 0.27 Allowed 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 97.4 t -138.98 133.83 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.555 HG22 ' H ' ' A' ' 599' ' ' LEU . 5.4 t -87.4 147.61 25.37 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 176.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -60.03 -38.37 82.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.421 0.629 . . . . 0.0 109.946 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -57.43 -39.74 76.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.901 177.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.555 ' H ' HG22 ' A' ' 596' ' ' THR . 17.8 tp -57.85 -50.36 73.56 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.861 0.362 . . . . 0.0 110.837 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.478 ' HD2' ' OE2' ' A' ' 636' ' ' GLU . 48.6 mtm180 -64.19 -48.14 77.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.079 -177.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 15.4 p -64.75 -40.02 94.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.632 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . 0.445 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 16.0 t-80 -57.53 -48.75 78.44 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.536 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.436 HD11 HD12 ' A' ' 653' ' ' LEU . 30.7 mt -63.79 -37.63 88.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.189 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 39.3 t -58.5 -47.67 87.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.519 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -64.95 -38.51 91.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.925 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 602' ' ' HIS . 28.0 mtpp -59.69 -40.49 88.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.983 0.42 . . . . 0.0 110.449 176.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 9.8 tt -63.54 -46.49 85.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.813 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.401 HG13 HD13 ' A' ' 628' ' ' LEU . 95.4 t -56.51 -43.76 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.972 172.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.23 -39.01 81.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.664 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.75 -39.76 92.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 28.2 mt -78.63 -33.44 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.541 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -147.14 88.95 5.69 Favored Pre-proline 0 N--CA 1.451 -0.422 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -173.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -74.59 -35.05 3.85 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 121.855 1.703 . . . . 0.0 112.939 -173.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 25.5 p -64.68 112.71 8.53 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.32 73.08 6.19 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.102 2.535 . . . . 0.0 111.591 177.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -90.13 126.48 56.89 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -57.74 -34.02 97.61 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.021 2.48 . . . . 0.0 113.251 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.49 -45.63 25.0 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.075 -0.391 . . . . 0.0 110.357 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -57.05 -33.01 66.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.336 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.444 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -61.17 -33.85 74.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.148 0.499 . . . . 0.0 110.798 177.227 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -103.38 18.12 22.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.795 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . 0.618 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 15.0 t0 -99.55 134.42 42.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.052 -175.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -54.91 -37.51 66.46 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.86 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.618 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 11.1 ttp180 -53.6 -49.19 68.32 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.087 0.242 . . . . 0.0 111.035 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.615 ' O ' HG23 ' A' ' 629' ' ' VAL . 50.3 ttm -64.95 -40.61 95.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.65 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.43 -39.17 93.32 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.598 0.237 . . . . 0.0 110.825 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.07 -47.13 87.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.747 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.2 pp -68.14 -37.75 81.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.382 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 625' ' ' MET . 97.8 t -64.54 -39.54 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 121.181 0.515 . . . . 0.0 110.079 177.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -55.88 -38.16 69.8 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.625 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -64.89 -37.35 87.33 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . 0.487 ' O ' ' HB ' ' A' ' 635' ' ' VAL . . . -61.9 -39.79 93.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.943 0.402 . . . . 0.0 110.169 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -39.99 94.71 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.892 174.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 634' ' ' LYS . 13.2 tmtt? -57.69 -40.84 80.37 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.647 ' O ' ' HG2' ' A' ' 639' ' ' MET . 23.5 t -54.96 -50.46 62.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.619 175.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.478 ' OE2' ' HD2' ' A' ' 600' ' ' ARG . 10.8 tp10 -59.03 -48.57 81.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.726 0.298 . . . . 0.0 110.94 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.4 -45.38 96.3 Favored Glycine 0 C--N 1.328 0.12 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.355 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.22 -49.42 72.02 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 122.556 0.343 . . . . 0.0 111.485 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.647 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.8 mmt -59.38 -37.27 77.54 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.985 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -48.39 -36.26 14.31 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -170.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.81 -51.09 64.03 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 119.668 -0.813 . . . . 0.0 110.671 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' SER . . . . . 0.503 ' C ' ' H ' ' A' ' 644' ' ' ASN . 21.9 t -67.31 -40.17 85.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.126 176.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -56.62 20.48 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.503 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.1 t-20 -69.68 -0.97 7.77 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 118.097 0.408 . . . . 0.0 110.495 -177.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 44.5 p -135.81 147.75 48.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.638 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -55.4 -50.04 70.78 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.49 -43.36 99.01 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.016 -176.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 6.7 tp10 -58.69 -48.09 82.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.19 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -55.61 -49.2 73.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.913 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -66.82 -40.47 88.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.144 0.497 . . . . 0.0 110.865 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -43.9 86.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.708 -173.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.499 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 93.4 mt -58.86 -49.33 78.15 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.027 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.436 HD12 HD11 ' A' ' 603' ' ' LEU . 15.5 mt -64.7 -47.8 77.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.548 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.03 -49.09 74.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.693 0.283 . . . . 0.0 111.637 -176.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -60.94 -46.28 91.33 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.352 0.596 . . . . 0.0 110.031 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.59 ' HB2' ' HZ3' ' A' ' 656' ' ' LYS . 0.1 OUTLIER -64.66 -44.78 89.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.937 -172.622 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.28 -41.19 91.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.772 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.49 -38.07 88.67 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.25 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' B' ' 843' ' ' ASN . 43.4 mmtm -57.43 -46.39 83.61 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.88 0.371 . . . . 0.0 110.828 177.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.545 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 0.8 OUTLIER -61.11 -37.91 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.91 177.315 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -64.62 -38.59 91.52 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . 0.492 ' HZ1' ' HB2' ' A' ' 662' ' ' LYS . 0.4 OUTLIER -64.86 -39.41 93.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.132 178.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 16.0 mm-40 -59.96 -40.81 90.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.85 174.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 63.1 mt -57.4 -43.18 83.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.954 0.407 . . . . 0.0 109.981 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -61.5 -48.5 80.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.482 176.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 669' ' ' ARG . 8.0 tp10 -63.27 -49.64 73.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.795 -174.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.514 ' HB2' ' HG ' ' B' ' 854' ' ' LEU . 27.3 mmtp -65.68 -41.4 92.49 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.94 -177.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -75.45 -15.98 60.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.947 0.88 . . . . 0.0 111.008 -178.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 666' ' ' GLU . 32.2 tpt180 -66.17 -26.72 67.54 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.364 175.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 7.8 t -73.64 11.4 0.83 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.309 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.401 ' H ' ' C ' ' A' ' 669' ' ' ARG . 5.3 ptp180 -59.23 139.47 56.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.813 0.339 . . . . 0.0 110.623 178.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 98.3 mt . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.039 179.574 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -84.79 -8.96 58.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.111 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 99.49 104.5 2.56 Favored Glycine 0 N--CA 1.439 -1.128 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.775 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 659' ' ' LYS . 0.9 OUTLIER -63.65 -38.73 92.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.831 0.348 . . . . 0.0 110.108 179.147 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 14.3 mt -110.65 139.23 35.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.458 HD11 ' HG3' ' A' ' 656' ' ' LYS . 3.7 mp -91.63 153.83 44.01 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.894 -0.139 . . . . 0.0 110.871 -172.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -30.9 117.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 124.971 3.781 . . . . 0.0 114.511 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.9 m -55.42 -39.61 70.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.315 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -56.06 -44.56 79.0 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.365 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 26.9 mm -64.28 -42.13 94.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.039 0.447 . . . . 0.0 110.115 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.503 ' O ' HD23 ' B' ' 854' ' ' LEU . 0.0 OUTLIER -64.57 -44.97 89.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.496 177.632 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.34 -39.41 94.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . 0.432 ' CE2' ' HG3' ' A' ' 624' ' ' ARG . 12.0 t80 -61.1 -49.01 79.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.251 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 6.6 p -65.23 -40.94 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.763 0.316 . . . . 0.0 111.252 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . 0.514 ' HG ' ' HB2' ' A' ' 667' ' ' LYS . 2.7 mm? -62.28 -37.48 85.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.778 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -65.99 -19.09 65.74 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.735 0.302 . . . . 0.0 111.432 -175.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -116.23 156.01 27.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.899 0.38 . . . . 0.0 110.115 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 30.9 m -136.79 125.28 15.01 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo . . . . . 0 C--O 1.247 0.972 0 C-N-CA 122.877 2.385 . . . . 0.0 112.448 178.601 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.439 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 30.9 m -126.16 156.21 36.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 -174.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.425 ' C ' ' HD2' ' A' ' 588' ' ' ARG . 7.4 ppt_? -114.02 -6.65 13.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.703 0.287 . . . . 0.0 111.155 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -125.25 79.88 1.84 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 122.125 0.964 . . . . 0.0 110.253 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -157.66 60.46 0.33 Allowed Glycine 0 N--CA 1.438 -1.184 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.39 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -60.54 2.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.56 0.695 . . . . 0.0 110.038 -176.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -97.92 2.71 49.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.903 -173.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.507 ' C ' ' H ' ' A' ' 595' ' ' VAL . 7.3 pt-20 -58.95 -29.87 67.46 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -174.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.32 20.5 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.973 0.416 . . . . 0.0 111.923 174.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.507 ' H ' ' C ' ' A' ' 593' ' ' GLU . 9.4 t -134.27 131.08 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 168.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.514 HG21 ' H ' ' A' ' 599' ' ' LEU . 5.4 t -88.72 154.83 19.98 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.234 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -64.26 -39.97 95.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.968 0.413 . . . . 0.0 109.943 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -55.89 -40.68 73.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.884 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.514 ' H ' HG21 ' A' ' 596' ' ' THR . 16.6 tp -56.28 -48.1 77.29 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.243 0.544 . . . . 0.0 110.273 177.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -64.41 -49.75 70.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.666 -174.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 8.8 p -66.08 -39.38 89.99 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.04 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -59.05 -45.92 89.55 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.034 0.445 . . . . 0.0 110.092 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 653' ' ' LEU . 67.7 mt -63.85 -37.99 89.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.668 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.85 -42.2 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.889 0.376 . . . . 0.0 110.518 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -63.79 -38.91 92.86 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.17 -41.02 91.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.77 0.319 . . . . 0.0 110.851 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.54 -43.78 92.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.211 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.41 HG11 HD13 ' A' ' 628' ' ' LEU . 91.4 t -61.65 -43.98 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.102 0.477 . . . . 0.0 110.601 175.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.64 -38.63 85.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.897 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.8 83.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.654 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 23.2 mt -77.25 -31.54 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.684 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -150.28 99.81 3.21 Favored Pre-proline 0 C--N 1.326 -0.437 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.31 -174.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -79.6 -34.97 0.88 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.005 1.804 . . . . 0.0 113.294 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 7.5 p -81.11 112.0 28.97 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -82.55 77.1 3.84 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.118 2.545 . . . . 0.0 111.787 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -74.15 126.53 89.08 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.838 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.88 -27.38 72.13 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.15 2.567 . . . . 0.0 113.7 -175.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -86.64 -50.07 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -56.9 -27.75 61.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.403 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.404 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -62.6 -30.36 71.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.753 178.543 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -101.97 16.28 26.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.705 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -99.73 136.84 39.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.26 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.81 -36.93 65.48 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.965 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.531 ' HG3' ' CE2' ' B' ' 852' ' ' PHE . 21.8 ttm-85 -53.89 -46.97 71.53 Favored 'General case' 0 C--O 1.233 0.185 0 O-C-N 123.07 0.232 . . . . 0.0 110.969 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.565 ' O ' HG21 ' A' ' 629' ' ' VAL . 51.0 ttm -65.1 -40.46 94.59 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.644 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.39 -38.93 91.48 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.749 0.309 . . . . 0.0 110.704 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.49 -44.68 95.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 177.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.0 OUTLIER -67.33 -37.74 83.8 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 178.411 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.565 HG21 ' O ' ' A' ' 625' ' ' MET . 80.9 t -63.04 -40.08 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.961 0.41 . . . . 0.0 110.069 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.461 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -55.92 -39.34 71.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.083 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -63.52 -36.93 85.39 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.383 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.89 -40.62 85.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.803 0.335 . . . . 0.0 110.321 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -40.37 94.96 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.892 175.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 75.3 mmtt -59.05 -41.61 88.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.258 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.671 ' O ' ' HG2' ' A' ' 639' ' ' MET . 11.5 t -54.78 -50.15 63.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.731 172.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -56.08 -44.15 78.68 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.54 -48.7 74.59 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.609 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.45 -46.74 84.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.76 0.28 . . . . 0.0 111.529 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.671 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.9 mmt -64.05 -37.72 88.47 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.002 -177.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -48.88 -38.05 21.45 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.122 0.889 . . . . 0.0 113.099 -167.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.33 -51.42 57.49 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.685 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' SER . . . . . 0.493 ' C ' ' H ' ' A' ' 644' ' ' ASN . 23.3 t -66.49 -38.86 88.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.299 177.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.29 20.51 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.493 ' H ' ' C ' ' A' ' 642' ' ' SER . 1.9 t30 -87.89 23.13 2.12 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 49.3 m -150.82 133.16 15.48 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.071 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -55.33 -51.63 66.13 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -170.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.37 -40.53 97.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.999 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.2 tp10 -59.13 -49.36 78.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.148 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -55.86 -48.67 75.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.158 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -63.61 -41.72 98.28 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 120.752 0.31 . . . . 0.0 111.567 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -66.2 -45.07 82.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.449 -172.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.648 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 80.7 mt -57.24 -50.01 74.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.044 -177.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.463 ' CD1' HD12 ' A' ' 603' ' ' LEU . 7.2 mt -64.94 -48.25 74.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.749 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.96 -45.22 78.93 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 123.107 0.254 . . . . 0.0 111.468 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -57.12 -45.7 83.23 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.703 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 46.6 mmtm -66.12 -41.59 90.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.549 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.13 -49.97 82.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 0.0 110.649 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -64.91 -37.78 88.77 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.471 ' HB2' ' HZ2' ' A' ' 659' ' ' LYS . 0.7 OUTLIER -57.67 -49.3 76.95 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.816 0.341 . . . . 0.0 110.817 179.173 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.622 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 1.0 OUTLIER -62.44 -38.93 82.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 177.689 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -64.23 -38.09 89.81 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.183 0.516 . . . . 0.0 109.721 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -63.99 -40.62 96.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.026 177.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 25.1 mm-40 -63.91 -44.32 93.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.832 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 71.9 mt -55.62 -48.53 74.77 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.0 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.94 -40.39 96.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.714 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 669' ' ' ARG . 8.9 tp10 -64.43 -49.59 70.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.189 -176.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 0.7 OUTLIER -67.84 -37.5 81.97 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 178.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . 0.41 ' HA ' ' HB3' ' A' ' 671' ' ' ARG . 96.5 mtt180 -65.29 -3.01 3.48 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.258 0.552 . . . . 0.0 111.873 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 666' ' ' GLU . 42.7 ttp180 -46.08 -33.56 3.56 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.682 168.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 32.1 t -122.24 -31.02 3.91 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.931 171.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.41 ' HB3' ' HA ' ' A' ' 668' ' ' ARG . 14.0 ptm180 50.89 48.03 23.68 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.677 0.751 . . . . 0.0 111.993 168.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 C--O 1.248 0.997 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.077 179.575 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 121.184 0.516 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -105.03 14.87 28.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.832 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 94.04 161.71 35.31 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.331 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -85.42 17.07 3.33 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.37 0.605 . . . . 0.0 110.055 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 23.9 mt -115.03 142.74 26.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.145 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.493 HD13 HG13 ' A' ' 660' ' ' ILE . 2.8 mp -89.21 142.08 29.68 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 -176.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -46.37 126.02 9.65 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 124.105 3.204 . . . . 0.0 114.175 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 9.4 p -54.75 -35.98 64.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.412 -1.267 . . . . 0.0 111.11 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -52.92 -45.45 67.6 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.527 -175.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 37.3 mm -65.49 -39.72 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.509 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.484 ' O ' HD22 ' B' ' 854' ' ' LEU . 0.0 OUTLIER -62.25 -42.2 99.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.208 176.801 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.55 -39.41 94.35 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.86 172.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . 0.531 ' CE2' ' HG3' ' A' ' 624' ' ' ARG . 8.2 t80 -58.5 -46.65 86.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.949 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 3.6 p -67.05 -41.18 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.55 175.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . 0.484 HD22 ' O ' ' B' ' 850' ' ' MET . 2.6 mm? -59.39 -38.61 81.0 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.513 0.197 . . . . 0.0 111.229 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -90.98 33.99 0.93 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.181 0.515 . . . . 0.0 110.796 -176.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -93.44 162.02 14.14 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 122.076 -0.39 . . . . 0.0 110.425 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 15.5 m -154.38 74.87 5.94 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.953 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo . . . . . 0 C--O 1.249 1.038 0 C-N-CA 122.982 2.455 . . . . 0.0 111.994 -177.706 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.489 0 N-CA-C 113.833 0.293 . . . . 0.0 113.833 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 34.6 m -35.3 139.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 125.021 1.071 . . . . 0.0 112.342 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.406 ' C ' ' HD2' ' A' ' 588' ' ' ARG . 2.7 ppt_? -107.58 -9.07 15.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.728 -171.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -96.21 117.83 31.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.42 0.629 . . . . 0.0 109.308 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . 0.458 ' O ' ' HG3' ' A' ' 593' ' ' GLU . . . -179.46 67.92 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -175.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 -59.97 -40.76 90.19 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.135 -0.533 . . . . 0.0 112.399 -171.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -62.21 -17.84 59.38 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.161 0.801 . . . . 0.0 113.161 -171.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 590' ' ' GLY . 0.3 OUTLIER -91.06 -15.17 29.97 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -177.321 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -132.82 15.08 4.33 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.396 0.617 . . . . 0.0 110.973 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 55.3 t -136.98 134.1 47.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.394 172.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.509 HG22 ' H ' ' A' ' 599' ' ' LEU . 4.2 t -94.55 151.57 19.23 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.218 -177.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -56.39 -40.46 74.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.28 0.562 . . . . 0.0 110.3 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.56 -39.0 79.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.628 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.587 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 17.8 tp -55.27 -51.77 65.58 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-O 120.613 0.244 . . . . 0.0 111.239 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 604' ' ' VAL . 78.9 mtm180 -58.86 -50.68 73.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.983 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 6.1 p -64.25 -38.59 91.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.846 0.355 . . . . 0.0 110.939 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -57.7 -49.25 77.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.171 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 33.4 mt -64.06 -40.11 95.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.506 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 600' ' ' ARG . 71.6 t -57.9 -49.31 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.565 0.221 . . . . 0.0 110.643 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -60.83 -39.6 89.64 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.961 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.11 -40.95 97.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.976 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.91 -45.26 86.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.467 HG13 HD12 ' A' ' 628' ' ' LEU . 54.4 t -55.88 -44.28 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.468 173.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.23 -39.83 80.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.34 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.64 98.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.841 0.353 . . . . 0.0 110.811 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 43.8 mt -70.98 -33.15 50.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.953 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -156.73 91.99 2.47 Favored Pre-proline 0 CA--C 1.534 0.333 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -172.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -80.04 -9.2 14.23 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.676 2.251 . . . . 0.0 113.949 -171.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 28.5 p -99.38 109.73 55.86 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.032 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -75.44 55.32 4.14 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 123.131 2.554 . . . . 0.0 112.223 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.64 123.29 84.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.894 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -57.97 -40.05 81.05 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.25 2.633 . . . . 0.0 113.675 -173.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -68.4 -41.46 80.42 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.22 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.77 87.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.471 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.522 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -48.39 -32.64 7.89 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.59 170.469 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -97.93 16.73 20.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.668 0.27 . . . . 0.0 111.545 -177.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -94.69 137.3 33.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.014 0.435 . . . . 0.0 110.579 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -60.96 -35.89 77.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.154 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -61.47 -38.86 88.78 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.207 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.522 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 45.4 ttm -58.9 -37.87 77.6 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.926 175.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.51 -40.23 82.28 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -63.25 -43.52 97.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.891 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 625' ' ' MET . 0.6 OUTLIER -67.48 -39.72 85.26 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.614 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.473 HG21 ' O ' ' A' ' 625' ' ' MET . 92.1 t -59.65 -42.72 89.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.321 176.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.85 90.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.934 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -64.47 -41.24 96.61 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.604 0.24 . . . . 0.0 110.547 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.77 96.58 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.658 0.266 . . . . 0.0 110.584 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.542 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -60.96 -40.27 92.71 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.242 175.33 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -59.36 -41.48 89.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.109 0.48 . . . . 0.0 110.111 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.556 ' O ' ' HG2' ' A' ' 639' ' ' MET . 38.8 t -60.89 -49.98 82.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.323 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 640' ' ' TYR . 2.8 pt-20 -54.74 -38.67 67.44 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.04 -50.76 56.07 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.092 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.5 -46.29 83.61 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.989 0.423 . . . . 0.0 111.054 -177.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.557 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 17.3 mmt -62.56 -35.78 80.56 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.928 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.566 ' HB2' ' O ' ' A' ' 636' ' ' GLU . 6.2 t80 -47.89 -38.19 15.83 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.505 1.128 . . . . 0.0 112.437 -173.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -66.44 -50.32 63.77 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.638 0.654 . . . . 0.0 111.083 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' SER . . . . . 0.512 ' C ' ' H ' ' A' ' 644' ' ' ASN . 16.1 m -65.88 -38.62 89.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.569 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -48.1 20.62 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.512 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.8 t-20 -69.56 -5.09 22.07 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.635 -0.666 . . . . 0.0 110.181 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 18.6 m -139.16 141.98 38.0 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -49.15 73.55 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.061 0.226 . . . . 0.0 111.332 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -60.73 -42.3 97.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.971 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -60.33 -48.24 82.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.612 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.06 -48.74 77.82 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.534 -176.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -65.6 -37.23 86.04 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.584 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -63.78 -49.12 74.19 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.956 0.408 . . . . 0.0 110.191 -175.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.557 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 76.7 mt -58.07 -49.77 75.77 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.427 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.528 ' O ' HG13 ' A' ' 657' ' ' ILE . 8.3 mt -65.73 -48.21 72.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.727 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.18 85.09 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -57.13 -47.91 79.97 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.413 177.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.408 ' HE3' ' CG2' ' A' ' 635' ' ' VAL . 23.1 ttmm -59.25 -40.65 86.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.798 178.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 653' ' ' LEU . 63.3 mt -65.82 -43.25 93.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.763 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -65.31 -38.58 90.63 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.036 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' B' ' 843' ' ' ASN . 73.6 mmtt -57.37 -40.32 77.9 Favored 'General case' 0 CA--C 1.524 -0.043 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.78 175.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.508 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 0.1 OUTLIER -56.22 -38.58 55.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.378 173.783 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -67.31 -39.67 85.94 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.482 0.658 . . . . 0.0 109.315 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 666' ' ' GLU . 28.8 tptp -65.36 -43.68 90.04 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.74 178.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.627 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 31.1 mt-10 -64.69 -45.61 85.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.387 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 96.1 mt -55.51 -40.18 71.43 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.084 0.469 . . . . 0.0 109.805 176.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.56 -49.49 76.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.852 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 662' ' ' LYS . 62.9 mm-40 -59.86 -41.76 92.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.014 -177.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.627 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 29.4 mmmt -59.4 -41.41 89.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.954 0.407 . . . . 0.0 110.692 -177.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -35.23 29.41 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.549 0.69 . . . . 0.0 110.432 -178.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.528 ' O ' ' HD3' ' A' ' 669' ' ' ARG . 2.5 tmt_? -71.64 -37.64 70.82 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.627 -173.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 13.9 t -61.96 -43.03 99.69 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.909 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -66.01 100.52 0.59 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 118.431 0.56 . . . . 0.0 110.956 169.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 55.9 mt . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.88 -0.581 . . . . 0.0 110.029 -179.581 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.46 0.648 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -91.85 4.22 53.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.934 0.873 . . . . 0.0 109.292 172.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 77.56 64.87 2.0 Allowed Glycine 0 N--CA 1.441 -0.992 0 CA-C-N 114.43 -1.259 . . . . 0.0 112.102 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . 0.578 ' O ' ' HG3' ' A' ' 659' ' ' LYS . 15.3 m120 -61.92 -34.5 76.19 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 25.0 mt -118.98 140.02 44.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 171.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.422 ' CD1' HG13 ' A' ' 660' ' ' ILE . 5.8 mp -81.23 167.9 28.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 120.512 0.196 . . . . 0.0 110.486 -173.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.89 127.7 17.45 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.082 1.855 . . . . 0.0 111.424 172.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 50.7 m -54.76 -37.93 66.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.635 -176.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -56.77 -39.72 74.56 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.488 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.79 -40.3 88.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.435 0.636 . . . . 0.0 109.438 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.512 ' O ' HG12 ' B' ' 853' ' ' VAL . 32.3 mmt -64.58 -38.52 91.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.661 176.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.27 -40.09 70.6 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.07 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -60.98 -47.08 88.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.78 -176.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . 0.512 HG12 ' O ' ' B' ' 850' ' ' MET . 11.4 p -63.79 -38.4 82.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.87 -176.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.1 -39.22 92.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.823 0.344 . . . . 0.0 110.187 172.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -69.25 -40.03 78.12 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.066 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -92.46 149.64 21.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.06 0.457 . . . . 0.0 110.664 -174.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 66.5 m -137.75 97.01 10.32 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.582 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 C--O 1.25 1.098 0 C-N-CA 123.037 2.491 . . . . 0.0 111.631 178.341 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.633 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 30.4 m -128.5 173.09 14.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.1 -0.55 . . . . 0.0 109.803 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 588' ' ' ARG . 6.1 ppt_? -66.74 -4.79 9.83 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -175.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -116.5 104.86 11.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.782 0.801 . . . . 0.0 109.629 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 151.92 63.45 0.01 OUTLIER Glycine 0 C--N 1.315 -0.615 0 CA-C-N 114.448 -1.251 . . . . 0.0 111.491 -174.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -56.97 3.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.54 0.686 . . . . 0.0 110.296 -175.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -92.51 4.96 52.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.577 -173.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -84.78 -14.68 47.42 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.889 0.699 . . . . 0.0 112.889 -167.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -131.13 18.67 4.95 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.914 -0.491 . . . . 0.0 111.552 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 38.9 t -143.53 135.21 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 122.255 0.222 . . . . 0.0 110.541 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.482 HG22 ' H ' ' A' ' 599' ' ' LEU . 8.0 t -94.08 165.24 12.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.649 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -64.16 -44.64 91.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.929 0.395 . . . . 0.0 110.456 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.36 -40.13 77.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.365 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 18.6 tp -55.63 -49.95 71.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.975 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.495 ' O ' HG22 ' A' ' 604' ' ' VAL . 36.6 mtm180 -62.01 -49.52 75.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.237 -176.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' SER . . . . . 0.433 ' O ' ' HD2' ' A' ' 605' ' ' HIS . 9.8 p -65.3 -39.84 93.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.986 -177.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -60.54 -45.88 92.25 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.527 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 56.2 mt -61.42 -37.54 83.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.233 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 600' ' ' ARG . 76.7 t -59.26 -41.34 83.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.433 ' HD2' ' O ' ' A' ' 601' ' ' SER . 17.3 m-70 -64.29 -38.69 91.94 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -58.12 -42.08 85.0 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.689 176.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 8.8 tt -65.55 -50.04 66.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.29 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 99.5 t -56.12 -41.59 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.041 175.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -55.91 -40.01 72.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.744 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.74 93.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.62 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.4 mt -82.63 -30.66 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.641 0.258 . . . . 0.0 110.596 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -155.09 91.22 2.92 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.33 . . . . 0.0 110.362 -174.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -80.67 -35.21 0.58 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.153 1.902 . . . . 0.0 112.602 -176.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 22.9 p -62.27 114.13 10.82 Favored Pre-proline 0 C--N 1.33 -0.269 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -79.52 75.14 5.21 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.072 2.515 . . . . 0.0 111.465 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -82.18 121.82 79.01 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.609 176.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.6 -25.77 79.96 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.144 2.562 . . . . 0.0 113.159 -175.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.19 -48.06 10.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.751 0.31 . . . . 0.0 110.18 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -58.71 -30.47 67.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.384 175.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -32.46 71.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.19 0.519 . . . . 0.0 110.024 177.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -100.15 16.85 22.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.18 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -95.02 127.55 41.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.06 0.457 . . . . 0.0 110.497 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -55.8 -37.31 68.46 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.911 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -64.13 -37.71 88.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.128 -0.229 . . . . 0.0 111.258 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 39.3 ttm -55.19 -38.02 67.82 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.642 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -56.36 -38.45 71.43 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.972 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -60.41 -44.21 95.94 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.989 0.423 . . . . 0.0 110.357 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.78 -40.76 88.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.621 -178.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 52.1 t -65.77 -42.13 91.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 121.319 0.58 . . . . 0.0 110.075 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.25 92.75 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.836 177.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -63.97 -38.14 90.0 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.64 77.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.274 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -39.93 92.54 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.106 174.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -57.03 -46.85 82.07 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.737 0.303 . . . . 0.0 110.455 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.705 ' O ' ' HG2' ' A' ' 639' ' ' MET . 9.8 t -54.94 -50.34 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.779 175.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -57.02 -41.51 78.68 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.786 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.82 -47.77 79.41 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.727 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.46 -44.0 96.32 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.902 0.382 . . . . 0.0 111.301 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.705 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.6 mmt -57.61 -35.89 71.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.665 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -50.82 -35.41 32.13 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.293 -0.867 . . . . 0.0 113.205 -171.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.6 -50.85 69.65 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.953 0.797 . . . . 0.0 109.927 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' SER . . . . . 0.537 ' C ' ' H ' ' A' ' 644' ' ' ASN . 14.9 m -65.15 -37.57 87.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.578 177.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -54.6 20.52 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.537 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.8 t-20 -68.31 -1.87 7.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.01 0.433 . . . . 0.0 110.092 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 55.6 p -142.0 145.2 34.17 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.986 175.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -55.46 -49.77 71.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.765 0.316 . . . . 0.0 111.652 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.66 -41.18 97.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.623 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.604 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 6.4 tp10 -59.96 -45.17 93.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.852 0.358 . . . . 0.0 110.266 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.64 -49.61 72.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.247 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -65.34 -38.77 91.13 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 122.517 0.327 . . . . 0.0 111.839 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -65.65 -42.85 90.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.858 0.361 . . . . 0.0 110.774 -176.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 63.6 mt -60.97 -50.48 73.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.95 -177.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.486 ' O ' HG13 ' A' ' 657' ' ' ILE . 9.1 mt -62.3 -45.58 92.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.912 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.86 -47.76 79.65 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.827 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -59.69 -46.99 87.39 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 29.8 mmtp -64.76 -38.67 91.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.077 -176.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 653' ' ' LEU . 83.4 mt -60.18 -43.2 92.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 176.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -64.44 -38.03 89.61 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -57.54 -47.39 82.14 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.943 0.401 . . . . 0.0 110.114 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.412 HG13 HD11 ' B' ' 845' ' ' LEU . 0.5 OUTLIER -63.83 -39.17 84.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.383 178.425 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -65.57 -40.09 92.39 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.215 0.531 . . . . 0.0 109.655 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -65.63 -39.64 91.69 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.043 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 24.4 mm-40 -56.62 -49.31 75.35 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.038 177.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.77 -42.41 97.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.328 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.3 -50.26 68.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.765 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -59.13 -50.17 75.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.872 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 17.3 ptpt -65.27 -40.98 94.6 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -175.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -80.09 -22.12 42.56 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.871 0.843 . . . . 0.0 111.001 -177.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -65.24 -27.83 68.93 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 114.581 -1.19 . . . . 0.0 109.659 174.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 26.4 t -92.02 -4.95 53.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.433 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -175.52 91.48 0.05 Allowed 'General case' 0 C--O 1.233 0.192 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -175.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 90.6 mt . . . . . 0 C--O 1.25 1.124 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.016 168.228 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 121.208 0.527 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -96.51 -6.16 37.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.674 0.75 . . . . 0.0 109.651 174.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 85.32 46.82 5.42 Favored Glycine 0 CA--C 1.498 -0.999 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.533 -177.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -75.06 -38.3 61.4 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 113.895 -1.152 . . . . 0.0 110.125 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 33.1 mt -135.87 137.76 48.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.412 HD11 HG13 ' A' ' 660' ' ' ILE . 5.5 mp -81.15 149.09 65.44 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 120.558 0.218 . . . . 0.0 111.232 -174.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . 0.402 ' O ' ' HG2' ' B' ' 850' ' ' MET . 68.2 Cg_exo -42.61 130.27 5.23 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 124.562 3.508 . . . . 0.0 114.493 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 34.2 m -60.92 -39.43 89.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.583 -1.19 . . . . 0.0 111.502 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -62.76 -40.27 96.74 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.446 -174.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 33.3 mm -63.47 -43.46 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.433 ' HE1' ' HA ' ' B' ' 850' ' ' MET . 26.1 mmm -59.16 -38.7 80.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.992 175.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -63.74 -38.13 89.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.471 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.32 -44.22 75.63 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -176.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 3.5 p -65.07 -42.55 94.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.384 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.26 -37.7 88.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.501 0.191 . . . . 0.0 111.041 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -66.78 -22.29 66.03 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 110.663 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . 0.454 ' O ' ' HD3' ' B' ' 858' ' ' PRO . 9.3 t30 -93.57 134.43 35.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.882 0.372 . . . . 0.0 110.058 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 18.9 m -84.94 110.39 27.84 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.57 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' B' ' 856' ' ' ASN . 13.4 Cg_exo . . . . . 0 C--O 1.246 0.902 0 C-N-CA 122.888 2.392 . . . . 0.0 111.873 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.801 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 23.6 m -121.48 155.52 25.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.497 0.189 . . . . 0.0 110.649 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.431 ' C ' ' HD2' ' A' ' 588' ' ' ARG . 2.8 ppt_? -81.23 -15.15 56.45 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.196 0.522 . . . . 0.0 110.129 -178.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 589' ' ' LYS . 42.6 tttp -119.79 67.19 0.81 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.734 1.254 . . . . 0.0 108.128 177.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -143.13 48.82 0.75 Allowed Glycine 0 N--CA 1.438 -1.186 0 CA-C-N 113.783 -1.553 . . . . 0.0 112.387 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.95 -42.89 13.65 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 176.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -95.5 5.18 52.22 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.009 -176.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.7 -30.14 42.34 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -172.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -78.42 24.96 0.25 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.196 0.522 . . . . 0.0 111.723 176.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.467 HG12 HD22 ' A' ' 599' ' ' LEU . 12.7 t -134.72 131.91 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 168.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.566 HG21 ' H ' ' A' ' 599' ' ' LEU . 3.7 t -88.37 154.13 20.63 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.322 177.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -63.01 -38.97 93.34 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -57.71 -39.94 78.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.895 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.566 ' H ' HG21 ' A' ' 596' ' ' THR . 16.9 tp -56.38 -47.47 78.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.262 0.553 . . . . 0.0 110.003 177.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -64.92 -48.01 75.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.75 -177.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.9 p -64.33 -38.64 91.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.503 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -55.64 -45.59 77.6 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.668 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' A' ' 653' ' ' LEU . 26.4 mt -64.6 -38.47 91.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.108 178.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.13 -42.7 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.322 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -61.62 -40.31 94.4 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.321 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -64.16 -39.12 93.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.65 -43.54 93.3 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.492 HG13 HD12 ' A' ' 628' ' ' LEU . 73.4 t -59.08 -46.23 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.495 0.664 . . . . 0.0 109.943 174.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.45 -38.07 76.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.972 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.19 88.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.005 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 29.2 mt -78.44 -34.96 18.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -156.98 102.52 1.93 Allowed Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -175.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -77.47 -33.42 2.44 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.018 1.812 . . . . 0.0 113.14 -171.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 23.4 p -77.37 112.41 23.53 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.584 0.23 . . . . 0.0 111.579 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.9 Cg_exo -77.61 74.94 4.95 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.976 2.451 . . . . 0.0 111.194 176.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -70.62 124.56 91.12 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.023 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -57.46 -30.96 90.0 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.261 2.64 . . . . 0.0 113.237 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.4 -48.04 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -57.44 -28.61 63.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.238 175.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.495 HD22 ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -61.07 -31.07 70.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.303 0.573 . . . . 0.0 109.636 178.318 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -104.16 14.84 29.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -100.33 141.26 33.43 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . 0.528 ' HD3' ' OE2' ' A' ' 626' ' ' GLU . 27.6 mmt180 -55.53 -36.44 66.75 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.968 177.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.444 ' HG3' ' CD1' ' B' ' 852' ' ' PHE . 38.3 ttm180 -53.97 -49.98 67.54 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.466 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.531 ' O ' HG21 ' A' ' 629' ' ' VAL . 52.4 ttm -66.11 -39.05 89.63 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.001 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . 0.528 ' OE2' ' HD3' ' A' ' 623' ' ' ARG . 40.3 mt-10 -60.74 -40.55 92.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.585 0.231 . . . . 0.0 111.129 -175.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -42.78 99.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.21 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.1 pp -67.61 -38.03 83.38 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.531 HG21 ' O ' ' A' ' 625' ' ' MET . 74.5 t -64.77 -41.52 92.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 121.304 0.574 . . . . 0.0 109.989 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -61.84 -38.38 87.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.842 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -63.23 -38.18 90.17 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.4 96.77 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.447 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -39.46 94.26 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.761 0.315 . . . . 0.0 110.905 174.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -56.49 -46.86 80.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.755 176.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.578 ' O ' ' HG2' ' A' ' 639' ' ' MET . 4.6 t -54.93 -47.11 76.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.23 173.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -56.03 -40.73 73.89 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.87 -50.01 66.93 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.98 -44.78 91.68 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.787 0.327 . . . . 0.0 111.336 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.6 mmt -64.65 -38.48 91.15 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.525 -178.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -52.97 -39.98 63.38 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.439 0.462 . . . . 0.0 111.352 -175.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -67.22 -46.81 72.69 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.387 0.613 . . . . 0.0 110.416 176.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 644' ' ' ASN . 9.3 m -64.11 -36.33 83.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.134 -0.939 . . . . 0.0 112.023 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.35 22.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.496 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.5 t-20 -70.13 -2.25 12.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.074 0.464 . . . . 0.0 110.177 -176.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 38.2 p -145.95 140.6 27.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.922 174.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -54.81 -50.35 68.77 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -175.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.72 -40.42 87.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.226 -176.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -64.17 -46.62 83.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.783 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -55.38 -49.26 72.79 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.766 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.4 ' OH ' HD21 ' A' ' 599' ' ' LEU . 57.3 m-85 -65.59 -40.07 92.29 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -66.98 -41.08 87.39 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.819 -174.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.531 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 80.8 mt -60.67 -49.83 75.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.048 -178.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.454 ' CD1' HD13 ' A' ' 603' ' ' LEU . 11.5 mt -64.67 -44.04 91.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.153 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.13 -43.87 78.64 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -61.3 -40.81 95.53 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.339 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 0.2 OUTLIER -63.32 -45.49 91.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.043 -179.172 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.455 ' O ' ' HG3' ' A' ' 661' ' ' GLN . 65.5 mt -64.69 -43.57 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.778 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -64.53 -38.32 90.61 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.489 ' O ' ' HG3' ' A' ' 662' ' ' LYS . 1.7 tppp? -58.58 -44.95 89.94 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.014 0.435 . . . . 0.0 110.073 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.546 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 0.2 OUTLIER -65.21 -38.6 83.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.485 176.026 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 27.7 mt-30 -65.31 -41.58 93.91 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.667 -174.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 659' ' ' LYS . 0.0 OUTLIER -65.71 -36.66 84.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.332 176.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.636 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 11.3 mm-40 -61.93 -46.79 87.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.043 175.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 88.7 mt -55.47 -48.76 74.02 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 123.123 0.264 . . . . 0.0 111.302 -175.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -65.62 -38.16 88.63 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.639 0.257 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -64.07 -44.69 91.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.527 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 22.7 mmtp -66.32 -37.76 86.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.297 0.57 . . . . 0.0 109.85 177.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -58.91 -17.44 24.29 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.759 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -46.17 -37.26 6.8 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.57 175.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 97.6 p -101.59 -47.35 4.67 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.037 174.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 53.54 73.49 0.37 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.435 0.636 . . . . 0.0 110.611 176.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.348 176.848 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 . . . . . 0 CA--C 1.519 -0.217 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -104.6 36.79 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.604 -175.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 80.93 86.93 0.63 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.622 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -91.96 -58.87 2.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.181 0.515 . . . . 0.0 110.697 178.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 37.7 mt -127.65 143.96 39.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.455 HD23 ' CD1' ' A' ' 660' ' ' ILE . 5.4 mp -80.39 127.89 74.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.71 154.66 64.14 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 123.877 3.052 . . . . 0.0 114.951 -167.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 847' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' B' ' 850' ' ' MET . 19.8 m -55.07 -37.02 66.22 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 113.587 -1.642 . . . . 0.0 111.537 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -54.69 -48.98 71.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.45 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 33.2 mm -65.66 -38.31 82.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.28 177.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.426 ' HB2' ' O ' ' B' ' 847' ' ' SER . 3.8 mmt -55.07 -39.63 69.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.335 174.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.12 -36.98 66.31 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.531 176.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . 0.444 ' CD1' ' HG3' ' A' ' 624' ' ' ARG . 21.0 m-30 -62.81 -50.35 71.34 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.173 -175.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 3.3 p -67.02 -41.39 87.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 120.677 0.275 . . . . 0.0 111.471 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.01 -38.25 90.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.356 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' B' ' 855' ' ' LYS . 0.1 OUTLIER -80.87 -0.25 38.17 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.794 0.331 . . . . 0.0 111.335 -174.862 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . 0.451 ' O ' ' HD3' ' B' ' 858' ' ' PRO . 45.5 t-20 -114.88 128.79 56.5 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 27.7 m -98.06 106.55 35.49 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.969 -177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' B' ' 856' ' ' ASN . 3.8 Cg_exo . . . . . 0 C--O 1.249 1.074 0 C-N-CA 122.801 2.334 . . . . 0.0 111.418 177.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.75 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 19.0 m -117.96 154.78 19.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 588' ' ' ARG . 5.6 ppt_? -105.57 -11.95 16.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.601 -178.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -67.58 129.13 38.95 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.139 0.495 . . . . 0.0 110.268 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . 0.746 ' O ' ' HG3' ' A' ' 593' ' ' GLU . . . -165.78 55.55 0.25 Allowed Glycine 0 N--CA 1.437 -1.267 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . 0.441 ' HA ' ' NE2' ' A' ' 594' ' ' HIS . 5.3 m-90 -54.6 -44.25 72.88 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.865 0.364 . . . . 0.0 111.246 -175.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -73.66 -23.57 59.86 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.746 ' HG3' ' O ' ' A' ' 590' ' ' GLY . 0.1 OUTLIER -84.18 -17.53 39.63 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.748 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.441 ' NE2' ' HA ' ' A' ' 591' ' ' TRP . 29.4 p80 -106.04 38.75 1.94 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.311 -0.556 . . . . 0.0 111.495 174.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 53.7 t -133.97 132.85 56.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 170.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.467 HG23 ' H ' ' A' ' 599' ' ' LEU . 1.8 t -94.39 163.85 13.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.565 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -63.65 -40.26 96.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.388 0.613 . . . . 0.0 109.643 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.65 -38.39 78.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.098 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.519 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 18.8 tp -54.38 -49.66 69.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.083 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.528 ' HD3' ' CD1' ' A' ' 640' ' ' TYR . 38.9 mtm180 -65.41 -43.86 89.25 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 52.7 p -64.57 -39.27 93.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.258 0.551 . . . . 0.0 110.092 -178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -56.02 -49.1 74.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.238 176.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 76.2 mt -62.87 -38.58 91.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.04 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.3 -40.76 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.979 0.419 . . . . 0.0 110.634 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -62.42 -37.72 86.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.285 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -55.81 -44.67 78.06 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.98 -43.64 91.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.23 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.427 HG11 HD13 ' A' ' 628' ' ' LEU . 90.0 t -64.02 -43.35 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 177.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . 0.521 ' OE1' ' HA ' ' A' ' 613' ' ' PRO . 5.9 tp-100 -60.93 -40.48 93.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.271 -179.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.74 83.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.15 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 33.5 mt -76.24 -34.6 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.976 -174.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -156.69 95.34 2.24 Favored Pre-proline 0 C--N 1.33 -0.263 0 O-C-N 122.101 -0.374 . . . . 0.0 110.048 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . 0.521 ' HA ' ' OE1' ' A' ' 609' ' ' GLN . 55.3 Cg_endo -78.26 -30.03 3.64 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.157 1.905 . . . . 0.0 113.262 -173.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 25.6 p -75.23 111.75 15.27 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.0 Cg_exo -79.31 73.61 5.94 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.078 2.519 . . . . 0.0 111.503 177.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -70.09 127.86 92.01 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.837 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -56.09 -26.39 59.52 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.222 2.614 . . . . 0.0 113.366 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -86.32 -46.81 9.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.814 0.34 . . . . 0.0 110.163 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 622' ' ' ASP . . . -59.42 -31.48 69.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.679 176.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -27.73 67.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.285 0.564 . . . . 0.0 110.239 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -99.75 16.1 24.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.343 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . 0.615 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 17.9 t70 -99.92 134.17 43.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.326 -175.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -63.3 -38.67 92.07 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.278 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.615 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 35.7 ttm180 -57.86 -39.96 79.02 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.865 -0.152 . . . . 0.0 111.054 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.506 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 41.5 ttm -58.49 -39.0 78.8 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.124 176.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.46 -38.11 79.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.624 0.249 . . . . 0.0 110.948 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.48 -41.8 90.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.443 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 625' ' ' MET . 0.9 OUTLIER -66.73 -38.93 87.65 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.557 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.56 -43.07 96.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.34 0.59 . . . . 0.0 109.974 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' A' ' 634' ' ' LYS . . . -59.37 -39.4 83.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.332 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -61.15 -38.77 87.62 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.32 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.28 86.75 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.725 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.657 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -63.96 -40.34 96.2 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.748 0.308 . . . . 0.0 111.387 175.826 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 630' ' ' ALA . 64.5 mttm -59.13 -45.9 89.74 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 639' ' ' MET . 11.1 t -57.68 -51.59 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.689 174.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.657 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.2 OUTLIER -56.48 -39.53 73.37 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 121.215 -0.194 . . . . 0.0 110.994 -178.572 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.31 -49.24 62.32 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.52 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.67 -40.88 97.93 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 24.0 mmt -61.63 -38.08 86.34 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.273 177.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.528 ' CD1' ' HD3' ' A' ' 600' ' ' ARG . 6.5 t80 -50.93 -37.44 44.23 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.593 0.558 . . . . 0.0 111.751 -173.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -50.28 63.25 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.646 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' SER . . . . . 0.555 ' C ' ' H ' ' A' ' 644' ' ' ASN . 23.2 t -65.06 -36.95 85.97 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.808 178.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.64 22.49 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.993 1.717 . . . . 0.0 114.725 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.555 ' H ' ' C ' ' A' ' 642' ' ' SER . 1.5 t-20 -70.25 1.1 5.2 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.087 0.47 . . . . 0.0 109.951 -177.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 19.7 m -140.01 138.53 35.53 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.545 173.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.43 ' O ' ' HD1' ' A' ' 650' ' ' TYR . 11.7 mmm180 -55.16 -51.16 67.38 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -174.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -59.99 -40.64 89.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 6.7 tp10 -56.52 -48.4 77.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.104 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.99 -49.46 76.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.462 -175.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.43 ' HD1' ' O ' ' A' ' 646' ' ' ARG . 68.4 m-85 -66.53 -40.19 88.99 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.175 0.512 . . . . 0.0 110.749 -176.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -40.85 86.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.257 -175.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.686 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 96.9 mt -61.08 -50.89 71.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 3.2 mt -61.31 -45.05 96.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.929 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.62 -42.18 82.81 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.604 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.58 -46.06 90.08 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.674 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.686 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 59.0 mmtt -64.98 -40.3 94.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 -175.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.447 ' O ' ' HG3' ' A' ' 661' ' ' GLN . 80.7 mt -61.66 -40.87 88.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.275 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -64.06 -37.21 86.62 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 74.2 mmtt -57.11 -47.96 79.79 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.759 0.314 . . . . 0.0 110.291 177.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.489 ' CD1' HD22 ' B' ' 845' ' ' LEU . 0.3 OUTLIER -63.08 -38.04 81.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.985 177.156 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 94.8 mt-30 -65.55 -39.72 92.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.199 0.523 . . . . 0.0 109.631 -178.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -64.82 -41.13 96.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.186 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.655 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 65.7 mm-40 -57.64 -46.62 83.94 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.663 178.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 92.2 mt -58.28 -42.49 86.69 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.583 0.552 . . . . 0.0 111.117 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.41 -45.45 90.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.124 0.487 . . . . 0.0 109.872 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -64.66 -37.92 89.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.601 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.655 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 37.6 mmtm -61.77 -41.21 97.42 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -69.78 -27.71 65.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 122.212 1.006 . . . . 0.0 110.371 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -74.63 -25.47 59.24 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 113.659 -1.61 . . . . 0.0 109.862 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 10.3 t -98.89 -2.88 36.55 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.302 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 38.31 86.24 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 O-C-N 124.237 0.961 . . . . 0.0 112.213 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 70.2 mt . . . . . 0 C--O 1.246 0.872 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.129 -174.583 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 CA--C 1.519 -0.246 0 CA-C-O 121.389 0.614 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . 0.511 ' O ' ' HE3' ' A' ' 656' ' ' LYS . . . -82.3 65.69 7.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.147 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 82.82 106.55 0.47 Allowed Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.058 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -74.18 -64.64 0.97 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.175 0.512 . . . . 0.0 109.752 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 43.9 mt -138.71 146.99 25.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 176.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.489 HD22 ' CD1' ' A' ' 660' ' ' ILE . 5.9 mp -79.46 134.85 57.67 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.698 0.285 . . . . 0.0 110.551 -174.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -43.92 137.36 6.88 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 124.471 3.447 . . . . 0.0 114.877 -174.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 6.2 p -55.44 -37.56 67.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.172 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -54.52 -47.8 72.7 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.743 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 38.9 mm -65.15 -39.85 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.998 0.428 . . . . 0.0 110.32 178.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.449 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 3.0 mmt -56.62 -38.53 72.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.996 177.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -55.44 -38.09 68.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.354 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -55.61 -50.71 69.43 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 -175.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 6.1 p -66.65 -39.84 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 120.697 0.284 . . . . 0.0 111.367 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.61 -39.26 93.4 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.728 0.299 . . . . 0.0 111.034 177.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -72.78 -22.63 60.81 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.314 -176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -92.04 148.63 22.04 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 3.5 m -124.66 85.93 56.2 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.031 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo . . . . . 0 C--O 1.25 1.105 0 C-N-CA 122.371 2.048 . . . . 0.0 112.005 177.757 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 121.037 0.243 . . . . 0.0 113.363 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . 0.511 HG22 ' HD2' ' A' ' 589' ' ' LYS . 16.1 m -145.09 145.56 20.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 176.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' A' ' 588' ' ' ARG . 6.3 ppt_? -68.4 4.03 1.51 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -172.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.511 ' HD2' HG22 ' A' ' 587' ' ' VAL . 0.0 OUTLIER -44.94 119.72 2.08 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.929 0.871 . . . . 0.0 111.416 -176.504 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 161.36 80.95 0.04 OUTLIER Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.119 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.79 -47.06 10.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.017 0.913 . . . . 0.0 108.728 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -98.7 5.45 47.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.09 -174.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.402 ' C ' ' H ' ' A' ' 595' ' ' VAL . 10.4 pt-20 -52.39 -29.79 25.91 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -171.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.63 24.18 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.032 0.444 . . . . 0.0 111.477 177.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.412 HG12 HD21 ' A' ' 599' ' ' LEU . 86.9 t -137.68 133.69 45.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.555 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.7 t -91.19 164.15 14.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.873 0.368 . . . . 0.0 111.258 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -64.57 -42.11 95.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.393 0.616 . . . . 0.0 109.795 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -59.27 -39.54 83.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.306 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.555 ' H ' HG23 ' A' ' 596' ' ' THR . 20.6 tp -54.3 -47.73 72.1 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.059 -177.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.507 ' HD3' ' CE1' ' A' ' 640' ' ' TYR . 30.5 mtm105 -57.43 -50.7 72.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.544 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 22.0 p -64.14 -40.18 95.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.859 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -58.99 -48.97 79.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.153 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.5 HD11 ' CD1' ' A' ' 653' ' ' LEU . 47.6 mt -63.73 -38.28 90.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.186 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.432 HG21 ' O ' ' A' ' 600' ' ' ARG . 55.3 t -57.78 -40.61 76.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.555 0.217 . . . . 0.0 110.966 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -62.79 -38.22 89.8 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 121.183 -0.207 . . . . 0.0 110.766 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -58.54 -39.53 80.46 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.179 0.514 . . . . 0.0 110.483 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.468 HD11 ' HZ1' ' A' ' 656' ' ' LYS . 5.7 tt -64.13 -48.92 74.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.591 178.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 92.3 t -56.37 -42.91 75.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.03 173.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -55.97 -41.58 74.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.744 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.28 94.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.673 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 36.2 mt -80.52 -33.95 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.617 0.246 . . . . 0.0 110.732 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -154.88 90.17 3.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 -171.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -78.38 -32.77 2.14 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.024 1.816 . . . . 0.0 112.534 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 25.2 p -64.2 119.48 56.23 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -77.13 91.46 1.17 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.078 2.519 . . . . 0.0 110.992 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.448 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 14.7 t70 -102.98 124.65 37.81 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.294 -177.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.61 -32.38 96.57 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.191 2.594 . . . . 0.0 113.693 -175.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -89.43 -47.04 8.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.551 0.215 . . . . 0.0 110.743 -176.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . 0.448 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -56.7 -28.79 61.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.502 176.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -30.1 71.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.245 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -102.79 16.67 25.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.006 0.431 . . . . 0.0 110.789 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -99.58 133.53 43.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.489 -175.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -60.74 -38.71 86.09 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.576 -176.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.405 ' HG3' ' CE2' ' B' ' 852' ' ' PHE . 0.0 OUTLIER -57.14 -39.54 75.39 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 122.318 0.247 . . . . 0.0 110.902 -179.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.541 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 46.1 ttm -62.02 -39.02 90.87 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.602 175.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.12 -38.62 87.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.885 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . 0.412 ' N ' HD21 ' A' ' 627' ' ' ASN . 0.9 OUTLIER -57.48 -46.89 83.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.746 179.469 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.1 pp -66.75 -38.85 87.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.875 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.477 HG21 ' O ' ' A' ' 625' ' ' MET . 99.4 t -65.26 -40.75 89.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.283 0.563 . . . . 0.0 110.144 178.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.2 87.26 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.73 176.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -64.42 -36.92 85.74 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 629' ' ' VAL . . . -55.37 -39.95 70.72 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.084 0.468 . . . . 0.0 110.096 178.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -39.89 95.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.528 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -56.1 -47.11 78.68 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.724 0.297 . . . . 0.0 110.555 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.545 ' O ' ' HG2' ' A' ' 639' ' ' MET . 12.4 t -55.95 -44.47 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.995 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.479 ' OE2' ' HB3' ' A' ' 600' ' ' ARG . 6.3 tt0 -54.88 -45.83 74.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.38 178.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.44 -48.82 74.96 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.694 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.08 -41.5 97.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.797 0.299 . . . . 0.0 111.186 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.545 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 21.7 mmt -64.58 -36.97 85.94 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.229 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.507 ' CE1' ' HD3' ' A' ' 600' ' ' ARG . 4.3 t80 -49.75 -37.05 27.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.199 -0.91 . . . . 0.0 113.058 -170.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.21 -50.5 65.63 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.52 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' SER . . . . . 0.562 ' C ' ' H ' ' A' ' 644' ' ' ASN . 19.5 m -64.35 -37.53 87.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.848 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.44 19.15 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.562 ' H ' ' C ' ' A' ' 642' ' ' SER . 0.1 OUTLIER -83.24 19.31 1.51 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.498 0.666 . . . . 0.0 109.231 -179.673 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 35.3 m -151.08 134.63 16.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -55.24 -51.02 67.96 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -170.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.17 -40.87 97.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.743 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 19.4 tt0 -61.44 -43.37 98.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.935 -177.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.77 -50.34 73.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.757 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -66.17 -39.42 89.74 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -65.16 -42.36 93.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.75 0.31 . . . . 0.0 110.438 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.495 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 93.3 mt -64.07 -48.34 76.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.0 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.509 ' O ' HG13 ' A' ' 657' ' ' ILE . 13.7 mt -64.29 -45.53 87.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.253 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.13 91.27 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.124 0.265 . . . . 0.0 111.439 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -57.39 -43.87 84.0 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.464 0.65 . . . . 0.0 109.483 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.468 ' HZ1' HD11 ' A' ' 607' ' ' LEU . 1.3 tmmm? -58.93 -41.27 86.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.826 178.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 653' ' ' LEU . 64.4 mt -64.33 -44.01 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.867 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -63.41 -38.86 92.76 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -57.29 -45.08 84.45 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.725 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.439 HG13 HD13 ' B' ' 845' ' ' LEU . 0.1 OUTLIER -62.93 -37.18 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.301 177.479 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . 0.496 ' O ' ' HG3' ' A' ' 665' ' ' GLU . 92.0 mt-30 -65.1 -41.69 94.7 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -175.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -66.6 -40.38 88.83 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.114 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -58.77 -49.2 78.53 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.773 0.32 . . . . 0.0 110.633 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.451 ' O ' ' HG2' ' A' ' 668' ' ' ARG . 89.4 mt -59.05 -48.38 81.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 661' ' ' GLN . 52.0 mt-10 -64.8 -42.71 94.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.703 0.287 . . . . 0.0 110.759 -178.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -59.56 -51.22 70.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.214 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -45.03 74.96 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -175.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 664' ' ' LEU . 29.4 ptt180 -76.08 -18.02 59.37 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.504 0.668 . . . . 0.0 111.82 -172.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 665' ' ' GLU . 36.0 ttp-105 -66.27 -31.07 71.66 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.398 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 32.6 t -98.44 -2.41 39.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.014 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -95.55 64.22 2.55 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.26 0.552 . . . . 0.0 110.12 -176.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.245 -0.883 . . . . 0.0 109.19 175.677 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . 0.486 ' HA ' ' OD1' ' B' ' 843' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 120.99 0.424 . . . . 0.0 111.695 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -85.66 31.66 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.383 0.611 . . . . 0.0 110.261 176.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 88.66 62.0 1.41 Allowed Glycine 0 N--CA 1.44 -1.059 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.028 -177.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . 0.486 ' OD1' ' HA ' ' B' ' 840' ' ' ASP . 20.1 m120 -75.64 -46.88 29.0 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 174.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 13.2 mt -85.45 132.53 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 107.508 -1.294 . . . . 0.0 107.508 167.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.439 HD13 HG13 ' A' ' 660' ' ' ILE . 5.7 mp -79.82 135.12 56.02 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 120.785 0.326 . . . . 0.0 110.687 -173.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -46.63 136.73 16.01 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.993 3.129 . . . . 0.0 114.052 -175.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 20.4 m -55.34 -38.0 68.18 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.736 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -55.17 -48.38 73.85 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.864 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 32.3 mm -64.47 -38.91 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 121.122 0.487 . . . . 0.0 109.956 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.439 ' O ' HD21 ' B' ' 854' ' ' LEU . 31.4 mmt -62.14 -42.52 99.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.34 176.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.5 -38.13 89.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.045 173.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . 0.405 ' CE2' ' HG3' ' A' ' 624' ' ' ARG . 2.4 t80 -57.6 -47.68 81.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.626 -176.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 2.6 p -65.46 -40.74 89.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.069 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . 0.439 HD21 ' O ' ' B' ' 850' ' ' MET . 3.1 mm? -57.47 -35.87 70.72 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 175.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -63.19 -22.26 66.75 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.641 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -92.84 166.89 12.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.309 0.576 . . . . 0.0 111.164 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 26.7 m -133.55 95.75 17.56 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.541 173.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo . . . . . 0 C--O 1.251 1.143 0 C-N-CA 123.235 2.623 . . . . 0.0 112.516 -179.425 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.738 0 CA-C-O 121.19 0.328 . . . . 0.0 112.297 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 19.2 m -117.9 162.86 15.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-O 120.673 0.273 . . . . 0.0 110.427 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 589' ' ' LYS . 6.4 ppt_? -76.18 -22.68 55.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.98 0.419 . . . . 0.0 110.214 178.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.662 ' HB2' ' CH2' ' A' ' 591' ' ' TRP . 21.5 pttp -87.76 65.89 8.6 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 122.272 1.034 . . . . 0.0 109.854 176.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -90.03 22.27 26.62 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.312 -0.858 . . . . 0.0 113.109 -173.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . 0.662 ' CH2' ' HB2' ' A' ' 589' ' ' LYS . 0.0 OUTLIER -84.51 -58.07 2.88 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 117.614 0.707 . . . . 0.0 110.553 179.352 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -94.68 4.72 53.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.747 -173.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -56.6 -34.21 66.98 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -173.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -74.23 16.67 0.23 Allowed 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 86.6 t -125.67 131.97 71.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 172.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.445 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.0 t -93.71 154.75 17.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.659 0.266 . . . . 0.0 110.702 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -60.7 -38.0 83.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -55.67 -40.04 71.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.473 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.445 ' H ' HG23 ' A' ' 596' ' ' THR . 19.9 tp -55.92 -47.9 76.65 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.737 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 604' ' ' VAL . 69.5 mtp180 -60.97 -49.7 76.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.943 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 19.1 p -62.62 -38.39 90.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.075 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -55.67 -48.37 75.15 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.116 0.484 . . . . 0.0 110.087 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 39.5 mt -65.05 -37.79 88.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.242 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 600' ' ' ARG . 58.6 t -61.33 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.133 0.492 . . . . 0.0 110.243 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -63.35 -37.33 86.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.61 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -61.38 -40.35 94.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.794 0.331 . . . . 0.0 110.486 175.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.3 tt -64.15 -43.05 96.38 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.47 HG12 HD12 ' A' ' 628' ' ' LEU . 78.4 t -58.16 -46.64 88.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.169 0.509 . . . . 0.0 110.206 172.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -38.7 70.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.985 178.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.47 -39.32 79.61 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.066 178.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 27.5 mt -82.18 -35.65 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -157.89 100.88 1.8 Allowed Pre-proline 0 N--CA 1.452 -0.331 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -173.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -74.39 -31.27 7.45 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 121.965 1.777 . . . . 0.0 113.181 -170.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 11.4 p -85.01 123.29 73.79 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 120.693 0.282 . . . . 0.0 111.494 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -75.88 65.91 6.79 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.756 2.304 . . . . 0.0 110.964 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.451 ' O ' ' HB2' ' A' ' 620' ' ' LEU . 32.0 t70 -61.24 125.18 83.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.88 -178.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.09 -28.89 87.97 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.964 2.442 . . . . 0.0 113.548 -175.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -79.56 -53.36 6.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.015 0.436 . . . . 0.0 110.082 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -58.26 -27.45 64.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.979 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.519 HD22 ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -63.04 -30.93 71.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.933 -179.209 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . 0.41 ' HE2' ' HA ' ' A' ' 621' ' ' LYS . 11.5 mmpt? -95.54 -3.19 47.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.278 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -89.84 136.74 32.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.803 0.335 . . . . 0.0 110.42 -174.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . 0.577 ' NH2' ' HG3' ' A' ' 626' ' ' GLU . 3.6 mmp_? -53.48 -37.83 63.07 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.198 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 624' ' ' ARG . 15.9 ttm180 -60.06 -40.19 88.59 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 111.388 0.144 . . . . 0.0 111.388 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.525 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 42.3 ttm -64.55 -39.6 94.05 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.429 177.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . 0.577 ' HG3' ' NH2' ' A' ' 623' ' ' ARG . 45.4 mm-40 -61.2 -39.29 89.66 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.773 0.32 . . . . 0.0 110.27 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -61.83 -44.55 96.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.817 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 625' ' ' MET . 0.8 OUTLIER -66.1 -38.28 87.83 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.068 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 625' ' ' MET . 96.7 t -65.05 -41.34 91.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.137 0.494 . . . . 0.0 110.234 177.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 634' ' ' LYS . . . -62.95 -39.73 95.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.491 175.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -59.86 -40.47 88.73 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 176.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.52 -49.52 77.09 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.392 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.595 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -57.28 -39.17 75.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.829 174.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.502 ' HZ2' ' HB3' ' A' ' 634' ' ' LYS . 9.1 mtpm? -56.88 -49.53 75.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.779 0.323 . . . . 0.0 110.298 176.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.623 ' O ' ' HG2' ' A' ' 639' ' ' MET . 11.6 t -57.01 -51.88 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.625 174.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.595 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.1 OUTLIER -58.16 -39.31 78.5 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 121.239 -0.184 . . . . 0.0 111.074 -178.75 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.38 -47.29 88.84 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.09 -40.61 96.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.025 0.441 . . . . 0.0 110.63 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 25.0 mmt -61.51 -36.26 80.04 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.554 176.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -51.39 -38.21 52.23 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.537 0.523 . . . . 0.0 111.992 -173.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -49.55 65.42 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.406 0.622 . . . . 0.0 110.432 176.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 644' ' ' ASN . 7.6 t -62.64 -34.32 76.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.155 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.97 23.18 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.522 1.529 . . . . 0.0 114.663 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.541 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.3 t-20 -74.97 -2.69 28.29 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 13.5 m -138.44 131.66 30.12 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -56.29 -47.79 77.94 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.86 0.362 . . . . 0.0 111.398 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.04 -40.63 96.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.915 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.515 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.3 tp10 -63.89 -48.4 76.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.687 -178.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -54.71 -50.0 69.35 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.333 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -65.57 -39.13 91.3 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -66.34 -40.98 90.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.001 0.429 . . . . 0.0 110.677 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 65.6 mt -62.51 -49.82 73.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.167 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.515 ' O ' HG13 ' A' ' 657' ' ' ILE . 10.3 mt -61.05 -42.45 98.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.825 177.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.63 -44.1 76.78 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.301 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -58.01 -46.29 85.49 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.608 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -64.59 -40.05 94.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.09 -176.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 653' ' ' LEU . 55.0 mt -64.11 -40.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . 0.411 ' HA ' HE21 ' A' ' 661' ' ' GLN . 7.4 t80 -63.07 -38.31 90.66 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 13.6 tppt? -57.93 -48.0 81.2 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 177.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.506 HG12 ' SD ' ' B' ' 850' ' ' MET . 0.5 OUTLIER -59.55 -38.96 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.076 175.121 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 48.0 mt-30 -65.5 -39.71 92.18 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -64.99 -47.9 75.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.655 176.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 18.7 mm-40 -61.19 -49.34 77.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.142 -174.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 80.2 mt -59.43 -45.29 91.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.0 0.428 . . . . 0.0 110.686 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -66.01 -49.73 66.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.951 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -65.74 -40.44 92.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.725 -175.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -65.45 -40.07 92.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.105 -0.372 . . . . 0.0 110.766 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 18.1 ttm105 -67.32 -17.56 64.81 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.433 0.635 . . . . 0.0 111.038 -176.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -49.06 -35.84 16.85 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.485 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 1.3 t -96.14 -48.63 5.57 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 119.685 -0.806 . . . . 0.0 111.371 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.36 80.53 0.01 OUTLIER 'General case' 0 C--N 1.346 0.448 0 CA-C-N 118.442 0.564 . . . . 0.0 111.421 169.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.342 -0.837 . . . . 0.0 111.071 173.569 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.977 0.417 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -90.28 -17.77 26.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.079 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 108.11 88.15 1.96 Allowed Glycine 0 N--CA 1.439 -1.108 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.215 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -37.31 87.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.302 0.572 . . . . 0.0 109.545 175.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . 0.462 ' HA ' ' HG2' ' A' ' 659' ' ' LYS . 23.1 mt -123.42 129.17 74.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 170.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.49 HD12 HG13 ' A' ' 660' ' ' ILE . 4.3 mp -79.06 135.27 58.63 Favored Pre-proline 0 N--CA 1.452 -0.326 0 CA-C-O 120.807 0.337 . . . . 0.0 110.975 -174.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -44.44 128.87 8.44 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 124.645 3.564 . . . . 0.0 114.523 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.0 p -57.87 -39.24 77.31 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.246 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.04 -46.94 78.72 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.697 -177.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 18.8 mm -64.48 -40.0 87.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.506 ' SD ' HG12 ' A' ' 660' ' ' ILE . 30.9 mmt -62.8 -40.04 96.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.759 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.56 -39.08 82.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.923 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -55.26 -49.85 71.0 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.18 0.3 . . . . 0.0 111.452 -174.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . 0.408 HG12 HD22 ' B' ' 854' ' ' LEU . 11.4 p -66.14 -41.57 89.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . 0.408 HD22 HG12 ' B' ' 853' ' ' VAL . 4.4 mm? -67.18 -42.02 84.92 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.684 0.254 . . . . 0.0 111.684 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -82.43 -33.8 28.43 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -172.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . 0.485 ' O ' ' HD3' ' B' ' 858' ' ' PRO . 3.2 t-20 -93.03 128.66 38.98 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 11.4 m -106.3 97.7 17.08 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.519 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' B' ' 856' ' ' ASN . 7.5 Cg_exo . . . . . 0 C--O 1.251 1.139 0 C-N-CA 123.021 2.48 . . . . 0.0 111.799 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.304 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 27.1 m 46.61 -172.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.309 1.043 . . . . 0.0 113.001 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 589' ' ' LYS . 6.5 ppt_? -62.78 -33.62 75.57 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 122.034 -0.416 . . . . 0.0 112.111 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.412 ' N ' ' HD2' ' A' ' 588' ' ' ARG . 15.1 pttp -49.42 130.11 19.56 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.306 0.574 . . . . 0.0 110.696 175.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 156.56 78.92 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.262 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.54 -69.24 0.59 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.425 0.631 . . . . 0.0 110.185 -176.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -94.71 2.43 55.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.159 -173.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -86.71 -37.66 17.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -170.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -128.4 32.17 4.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.462 0.649 . . . . 0.0 110.26 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 27.7 t -138.26 132.18 41.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.888 171.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.498 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.3 t -90.14 157.81 17.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.748 0.309 . . . . 0.0 111.127 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.35 -38.45 89.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.816 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -57.65 -40.42 79.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.841 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.498 ' H ' HG23 ' A' ' 596' ' ' THR . 18.2 tp -57.6 -44.68 85.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.174 0.511 . . . . 0.0 110.377 176.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.537 ' HD2' ' OH ' ' A' ' 649' ' ' TYR . 20.3 mmm180 -64.01 -50.52 68.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.129 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 11.1 p -66.1 -39.53 90.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.644 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . 0.448 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 20.6 t60 -55.67 -49.56 72.61 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.135 0.493 . . . . 0.0 110.481 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.48 -36.43 84.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.582 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.401 ' O ' HG22 ' A' ' 608' ' ' VAL . 53.3 t -61.81 -41.83 92.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.955 0.407 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -63.64 -39.45 94.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.282 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 602' ' ' HIS . 45.1 mtpt -61.9 -40.14 94.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.994 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.35 -42.29 93.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.037 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.418 HG12 HD12 ' A' ' 628' ' ' LEU . 93.0 t -61.03 -46.36 96.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.21 0.528 . . . . 0.0 110.016 175.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . 0.41 ' OE1' ' HA ' ' A' ' 613' ' ' PRO . 8.0 tp-100 -55.6 -39.36 70.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.826 177.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.26 88.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.516 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 32.9 mt -75.99 -33.97 26.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.632 0.253 . . . . 0.0 110.334 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -156.47 101.03 2.04 Favored Pre-proline 0 N--CA 1.45 -0.474 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 -171.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . 0.41 ' HA ' ' OE1' ' A' ' 609' ' ' GLN . 54.7 Cg_endo -77.09 -34.73 2.06 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.903 1.736 . . . . 0.0 113.317 -173.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 40.0 p -77.87 111.07 15.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -82.1 69.42 7.52 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.934 2.423 . . . . 0.0 111.54 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -64.49 128.79 93.76 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.24 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -57.33 -28.14 78.64 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.196 2.597 . . . . 0.0 113.774 -176.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.43 -49.93 8.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.328 . . . . 0.0 110.12 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -57.08 -28.1 62.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.513 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.438 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -64.42 -30.26 71.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.063 -179.421 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -106.32 16.59 24.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.761 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . 0.622 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 16.8 t0 -93.58 129.47 39.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.916 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -55.62 -36.65 67.21 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.874 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.622 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 17.7 ttp180 -54.04 -40.94 67.54 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 122.195 0.198 . . . . 0.0 111.52 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.495 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 47.9 ttm -63.63 -38.41 91.02 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.409 178.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -56.4 -38.81 72.03 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.637 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . 0.444 ' N ' HD21 ' A' ' 627' ' ' ASN . 0.9 OUTLIER -63.18 -46.09 88.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.168 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.4 pp -65.81 -38.26 88.49 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.233 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.484 HG21 ' O ' ' A' ' 625' ' ' MET . 67.9 t -64.12 -40.28 88.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.147 0.499 . . . . 0.0 110.002 177.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -59.13 -39.03 81.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.358 178.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -58.36 -40.22 81.67 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 121.188 -0.205 . . . . 0.0 110.629 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.96 -44.43 96.77 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.935 0.397 . . . . 0.0 110.264 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.641 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 31.7 mmtp -53.89 -50.59 66.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.875 173.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.522 ' HE2' ' N ' ' A' ' 634' ' ' LYS . 1.2 mpmm? -55.58 -47.3 76.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.564 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.444 ' O ' ' HG2' ' A' ' 639' ' ' MET . 21.7 t -55.53 -49.65 72.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.663 175.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 3.4 pt-20 -56.32 -40.52 74.51 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.607 0.241 . . . . 0.0 110.375 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.84 -50.51 47.05 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.125 -0.559 . . . . 0.0 113.036 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.25 -47.85 82.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 111.074 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.588 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 20.6 mmt -58.95 -36.83 75.47 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.697 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.406 ' HA ' ' HB2' ' A' ' 643' ' ' ALA . 3.8 t80 -50.56 -35.44 29.79 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.866 0.729 . . . . 0.0 112.613 -170.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.56 -50.5 67.01 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.508 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' SER . . . . . 0.512 ' C ' ' H ' ' A' ' 644' ' ' ASN . 16.5 m -65.26 -38.35 90.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.163 0.506 . . . . 0.0 111.192 175.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' A' ' 640' ' ' TYR . . . -59.21 20.76 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.136 1.374 . . . . 0.0 114.492 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.512 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.1 t-20 -75.34 2.84 10.25 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.421 0.629 . . . . 0.0 109.852 -175.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 40.1 m -140.94 139.6 34.32 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.175 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -54.87 -50.6 68.28 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -168.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.2 -42.09 98.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.398 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.499 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 9.6 tp10 -62.83 -41.93 99.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.638 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . 0.537 ' OH ' ' HD2' ' A' ' 600' ' ' ARG . 1.9 t80 -55.5 -49.58 72.18 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.636 -176.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -64.29 -37.47 87.6 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 120.799 0.333 . . . . 0.0 111.289 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -65.18 -44.99 86.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.036 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.588 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 61.7 mt -60.04 -50.82 72.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.209 -176.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.508 ' O ' HG13 ' A' ' 657' ' ' ILE . 6.5 mt -64.24 -44.86 90.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.33 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.19 -42.34 81.04 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.854 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 25.1 tt0 -60.12 -41.92 93.66 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.136 179.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -64.0 -40.84 97.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.446 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 653' ' ' LEU . 54.4 mt -64.93 -40.3 88.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.432 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -64.62 -37.75 88.65 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 75.5 mmtt -56.87 -46.13 82.02 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.604 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 0.2 OUTLIER -60.36 -38.89 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.915 176.448 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -65.77 -40.58 92.15 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.114 0.483 . . . . 0.0 109.733 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -65.35 -45.26 84.89 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.668 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 659' ' ' LYS . 24.7 mt-10 -63.04 -39.15 93.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.381 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 82.2 mt -59.2 -39.79 83.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.979 0.419 . . . . 0.0 110.116 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -65.61 -45.37 83.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.523 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' A' ' 669' ' ' ARG . 34.9 mm-40 -64.04 -39.92 95.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.187 -177.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 664' ' ' LEU . 11.6 pttm -55.69 -36.45 67.15 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.301 0.241 . . . . 0.0 111.019 -178.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 671' ' ' ARG . 37.2 ttm180 -69.27 8.97 0.5 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.604 0.716 . . . . 0.0 111.834 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 666' ' ' GLU . 2.2 tmt_? -44.76 -36.54 3.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.323 175.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 47.0 t -129.4 -36.65 1.67 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.335 173.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' A' ' 671' ' ' ARG . 5.4 mmp_? -151.81 156.7 40.74 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-N 117.799 0.272 . . . . 0.0 110.841 -178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 72.8 mt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 117.995 -1.003 . . . . 0.0 111.871 171.717 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 . . . . . 0 N--CA 1.465 0.278 0 CA-C-O 120.767 0.317 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -119.43 35.0 4.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.229 0.538 . . . . 0.0 109.625 174.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 77.23 95.66 0.2 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.996 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.34 -45.77 87.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.426 0.632 . . . . 0.0 109.675 177.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 7.1 mt -95.16 148.28 5.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.174 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.498 ' CD1' HG13 ' A' ' 660' ' ' ILE . 5.5 mp -81.36 140.09 48.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 120.968 0.413 . . . . 0.0 111.334 -172.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -57.58 144.76 91.7 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 123.333 2.689 . . . . 0.0 112.579 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.3 t -55.55 -37.83 68.5 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.601 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -53.3 -47.67 69.03 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.393 0.433 . . . . 0.0 111.696 -175.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 33.8 mm -66.36 -44.47 90.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.783 0.325 . . . . 0.0 111.143 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.54 ' O ' HD22 ' B' ' 854' ' ' LEU . 33.2 mmt -61.95 -38.8 89.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.23 0.538 . . . . 0.0 110.459 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.33 -36.64 63.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.928 176.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 22.7 m-30 -57.39 -50.84 71.69 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 111.498 0.185 . . . . 0.0 111.498 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . 0.488 HG13 ' O ' ' B' ' 850' ' ' MET . 12.2 p -66.95 -38.79 82.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 120.536 0.208 . . . . 0.0 110.82 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . 0.54 HD22 ' O ' ' B' ' 850' ' ' MET . 3.8 mm? -56.13 -37.12 69.03 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.916 0.389 . . . . 0.0 110.758 174.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -66.9 -13.78 62.07 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.969 0.414 . . . . 0.0 110.719 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -104.17 142.1 35.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.963 0.411 . . . . 0.0 110.589 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 18.1 m -123.26 96.27 44.48 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.086 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo . . . . . 0 C--O 1.248 1.005 0 C-N-CA 123.0 2.467 . . . . 0.0 111.992 -179.897 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.323 0 CA-C-O 120.902 0.168 . . . . 0.0 112.739 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 27.7 m -87.06 -178.63 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 O-C-N 122.737 -0.273 . . . . 0.0 111.356 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.426 ' C ' ' HD2' ' A' ' 588' ' ' ARG . 6.7 ppt_? -66.08 -22.22 66.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.368 -177.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.41 131.57 47.57 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -178.83 78.45 0.06 OUTLIER Glycine 0 N--CA 1.438 -1.213 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.761 -172.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . 0.412 ' HE3' ' H ' ' A' ' 592' ' ' HIS . 0.0 OUTLIER -78.79 -44.3 23.49 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.572 0.701 . . . . 0.0 109.38 177.22 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.412 ' H ' ' HE3' ' A' ' 591' ' ' TRP . 19.7 m80 -80.16 2.96 22.14 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.25 -175.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.87 -35.85 34.9 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -173.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -56.01 -12.26 1.38 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 175.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 43.0 t -137.67 132.68 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.521 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.3 t -90.98 150.77 21.33 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.203 177.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.56 ' HA ' HE21 ' A' ' 597' ' ' GLN . 0.1 OUTLIER -59.02 -38.12 78.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.129 0.49 . . . . 0.0 109.726 179.386 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -57.74 -40.05 78.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.946 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 21.0 tp -57.74 -52.16 66.58 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.762 0.315 . . . . 0.0 111.007 177.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -64.78 -46.8 80.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.67 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 32.6 p -64.22 -40.31 95.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.909 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -57.49 -43.54 84.21 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.161 0.505 . . . . 0.0 110.272 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 35.1 mt -64.14 -38.24 90.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.874 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.42 -45.16 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -63.19 -39.04 93.49 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.87 -40.25 94.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.455 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.84 -43.87 91.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.834 176.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.496 HG13 HD12 ' A' ' 628' ' ' LEU . 66.7 t -55.28 -45.2 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.152 0.501 . . . . 0.0 110.412 172.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . 0.445 ' HG2' ' HA ' ' A' ' 613' ' ' PRO . 1.0 OUTLIER -58.19 -38.72 77.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.539 178.301 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.2 -40.91 91.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.364 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.8 mt -80.5 -32.45 13.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -156.43 93.06 2.47 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -174.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . 0.445 ' HA ' ' HG2' ' A' ' 609' ' ' GLN . 41.5 Cg_endo -74.72 -32.85 5.48 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.078 1.852 . . . . 0.0 113.171 -170.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 13.8 p -73.93 108.49 5.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.317 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -80.41 75.58 4.97 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.888 2.392 . . . . 0.0 111.754 -178.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -73.06 124.87 91.15 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.83 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.78 -26.33 65.73 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.316 2.677 . . . . 0.0 113.742 -174.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -88.1 -49.04 7.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 0.0 110.35 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . 0.445 ' O ' ' HB3' ' A' ' 622' ' ' ASP . . . -57.35 -27.96 62.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.324 175.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.542 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -61.4 -33.26 73.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.411 178.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -96.15 15.37 21.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.145 -177.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . 0.545 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 0.6 OUTLIER -97.29 141.12 30.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.234 0.54 . . . . 0.0 111.115 -173.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -64.08 -38.43 91.05 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.233 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.545 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 56.0 ttp180 -57.28 -43.94 83.59 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.738 0.304 . . . . 0.0 110.678 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.542 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 40.0 ttm -62.64 -38.38 90.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.769 175.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -56.35 -39.26 72.58 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.838 0.352 . . . . 0.0 110.158 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -43.06 99.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.507 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.496 HD12 HG13 ' A' ' 608' ' ' VAL . 0.6 OUTLIER -66.99 -38.82 86.71 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.795 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 625' ' ' MET . 62.5 t -64.68 -40.22 88.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-O 121.148 0.499 . . . . 0.0 110.125 178.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.52 83.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.663 177.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -64.59 -38.61 91.6 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 175.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.89 94.43 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.071 0.462 . . . . 0.0 110.028 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.566 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 25.8 mmtp -59.86 -46.92 87.78 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.579 0.704 . . . . 0.0 111.266 173.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -54.1 -43.74 70.65 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.226 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.501 ' O ' ' HG2' ' A' ' 639' ' ' MET . 20.7 t -60.2 -49.96 82.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.724 176.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 3.9 pt-20 -56.3 -40.02 73.66 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.872 0.367 . . . . 0.0 110.436 -178.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.47 -48.26 70.29 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.744 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.36 -43.26 95.08 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.543 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 25.5 mmt -56.36 -36.67 69.07 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.713 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -49.23 -35.09 16.5 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.938 0.774 . . . . 0.0 112.919 -173.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.75 -52.24 61.32 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 119.66 -0.816 . . . . 0.0 110.61 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' SER . . . . . 0.488 ' C ' ' H ' ' A' ' 644' ' ' ASN . 23.4 t -67.75 -39.66 84.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.094 176.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -57.73 20.38 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.488 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.3 t-20 -71.04 -1.92 13.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.222 0.534 . . . . 0.0 109.612 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 43.5 m -128.64 138.1 52.0 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.442 174.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -55.88 -49.96 71.95 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.637 0.256 . . . . 0.0 111.628 -176.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.92 -40.17 83.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.938 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.524 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 7.7 tp10 -62.09 -46.07 90.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.377 -178.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -55.59 -46.24 77.32 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.242 -175.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -62.7 -38.02 88.77 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 122.649 0.38 . . . . 0.0 111.25 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -66.3 -42.34 88.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.654 -174.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.543 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 46.7 mt -62.62 -50.38 71.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.361 -175.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.468 ' CD1' HD12 ' A' ' 603' ' ' LEU . 10.8 mt -62.34 -42.86 99.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.399 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.81 -44.93 78.32 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.57 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.12 -49.61 76.37 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.812 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -64.98 -41.64 95.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.272 -174.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.09 -40.61 89.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.818 0.342 . . . . 0.0 110.266 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -64.52 -37.39 87.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.319 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 662' ' ' LYS . 71.1 mmtt -57.7 -43.59 85.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.103 0.478 . . . . 0.0 110.472 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.495 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 1.0 OUTLIER -64.13 -37.83 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.767 175.694 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -64.12 -38.51 91.33 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 659' ' ' LYS . 21.4 tttm -56.39 -47.11 79.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.132 173.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -61.34 -40.1 93.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.328 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 92.1 mt -64.38 -39.03 93.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.089 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.08 -45.71 84.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.136 0.494 . . . . 0.0 110.353 172.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.36 -43.16 98.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.558 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.465 ' HG2' ' HA ' ' A' ' 664' ' ' LEU . 0.1 OUTLIER -57.0 -35.74 69.57 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -175.393 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -64.29 5.81 0.24 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.63 0.729 . . . . 0.0 111.98 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 667' ' ' LYS . 42.1 ttm180 -43.68 -35.97 2.01 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.762 -1.108 . . . . 0.0 112.347 173.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 39.9 t -121.05 -42.65 2.48 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 119.94 -0.704 . . . . 0.0 112.524 177.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -156.67 128.64 7.31 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 118.987 0.812 . . . . 0.0 112.271 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 N--CA 1.482 1.13 0 O-C-N 124.871 1.357 . . . . 0.0 113.586 173.714 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 N--CA 1.464 0.232 0 CA-C-O 121.431 0.634 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -83.9 70.87 10.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.14 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 71.04 62.61 3.47 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.699 -175.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' ' 659' ' ' LYS . 4.2 m-20 -97.44 21.7 9.81 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.658 -0.771 . . . . 0.0 109.621 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 28.7 mt -101.05 146.93 8.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.367 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.481 HD13 HG13 ' A' ' 660' ' ' ILE . 5.8 mp -79.5 134.33 58.31 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -35.36 129.48 0.28 Allowed 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 125.239 3.959 . . . . 0.0 114.926 -174.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.8 m -55.05 -38.59 68.19 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.855 176.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.45 -46.89 85.66 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.696 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 40.9 mm -65.66 -40.19 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 120.968 0.413 . . . . 0.0 110.388 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.449 ' O ' HD22 ' B' ' 854' ' ' LEU . 2.5 mmt -55.47 -37.63 68.02 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.953 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -53.85 -36.71 62.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.535 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 23.1 m-30 -55.03 -51.94 64.73 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.337 -176.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.78 -40.06 80.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 120.92 0.39 . . . . 0.0 111.188 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . 0.449 HD22 ' O ' ' B' ' 850' ' ' MET . 3.0 mm? -57.66 -39.08 76.24 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.511 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' B' ' 855' ' ' LYS . 37.4 ttpt -106.96 33.69 3.83 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.496 0.665 . . . . 0.0 110.133 -174.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -136.86 137.9 40.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.543 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 8.5 m -109.72 94.42 16.84 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.043 177.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo . . . . . 0 C--O 1.247 0.969 0 C-N-CA 123.012 2.475 . . . . 0.0 113.166 -175.26 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.512 0 N-CA-C 111.742 -0.543 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 11.7 m -143.95 164.87 14.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -175.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 0.1 OUTLIER -75.83 11.9 1.24 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.948 0.404 . . . . 0.0 111.928 -175.644 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -129.52 122.32 28.99 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 171.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 96.65 50.84 1.76 Allowed Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 -174.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -64.93 1.07 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.319 0.58 . . . . 0.0 111.48 -174.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -80.79 1.31 31.03 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.963 -167.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -47.18 81.31 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 118.74 0.7 . . . . 0.0 111.804 -172.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -70.21 7.16 1.06 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 178.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 86.4 t -134.89 132.31 53.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 118.371 0.532 . . . . 0.0 110.372 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.515 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.0 t -91.39 152.23 20.5 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 175.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -60.35 -38.69 84.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.347 0.594 . . . . 0.0 109.586 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -56.22 -40.92 74.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.665 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.515 ' H ' HG23 ' A' ' 596' ' ' THR . 17.9 tp -60.3 -48.35 82.1 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.651 177.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -59.01 -50.35 74.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.098 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 44.0 p -65.23 -40.56 94.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.91 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -56.66 -50.57 71.69 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.384 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.408 HD12 HD13 ' A' ' 653' ' ' LEU . 42.0 mt -66.01 -38.98 89.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.225 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.417 ' O ' HG22 ' A' ' 608' ' ' VAL . 19.8 t -64.59 -45.41 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.856 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -63.99 -39.17 93.51 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.33 -40.08 95.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.286 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.9 tt -61.94 -44.03 97.61 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 604' ' ' VAL . 97.2 t -60.65 -45.05 98.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.459 174.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -58.26 -38.18 76.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.772 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.03 93.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.725 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.476 HG12 HD11 ' A' ' 660' ' ' ILE . 23.0 mt -78.56 -30.41 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.113 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -155.92 101.17 2.14 Favored Pre-proline 0 CA--C 1.531 0.245 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -79.13 -34.02 1.27 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.144 1.896 . . . . 0.0 113.46 -172.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 23.4 p -69.38 110.56 6.51 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.2 Cg_exo -83.92 72.84 5.15 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.213 2.609 . . . . 0.0 111.518 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.44 ' HB3' ' HB1' ' A' ' 619' ' ' ALA . 21.2 t70 -77.93 129.1 77.11 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.012 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -55.85 -28.97 70.37 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.514 2.809 . . . . 0.0 113.649 -174.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -92.75 -48.28 6.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.614 0.245 . . . . 0.0 110.557 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . 0.497 ' O ' ' HB3' ' A' ' 622' ' ' ASP . . . -57.58 -28.46 63.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.664 178.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.462 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -62.16 -31.84 72.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.196 0.522 . . . . 0.0 110.324 178.095 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -97.64 18.0 16.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.541 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . 0.587 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 5.2 t70 -93.62 129.72 39.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.157 -175.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -58.08 -39.5 78.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.439 -177.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.587 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 28.4 ttp180 -57.7 -46.8 83.88 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.623 177.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.542 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 41.9 ttm -64.44 -39.84 94.59 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.772 175.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 622' ' ' ASP . 39.6 mt-10 -58.08 -38.59 76.66 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-O 120.729 0.3 . . . . 0.0 110.763 -178.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.61 -40.72 97.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.203 178.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 625' ' ' MET . 0.7 OUTLIER -68.42 -38.16 80.96 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.017 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 625' ' ' MET . 84.5 t -64.15 -40.29 88.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-O 121.131 0.491 . . . . 0.0 110.217 178.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -58.58 -37.79 76.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.506 177.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -59.31 -37.5 77.91 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.296 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.51 94.9 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.206 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.521 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -65.02 -40.84 95.46 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 120.941 0.401 . . . . 0.0 110.509 175.424 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 31.3 mmmt -56.02 -42.88 77.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.966 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 639' ' ' MET . 19.6 t -55.61 -49.79 71.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.678 176.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 3.2 pt-20 -56.87 -39.98 75.33 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.255 -178.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.77 -48.52 71.33 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.775 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -63.71 -43.8 95.5 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.912 0.386 . . . . 0.0 110.963 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.5 mmt -64.26 -36.17 83.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.631 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -48.17 -36.64 13.98 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.803 0.689 . . . . 0.0 112.595 -173.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -65.5 -49.99 66.95 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.165 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' SER . . . . . 0.504 ' C ' ' H ' ' A' ' 644' ' ' ASN . 15.4 m -66.56 -39.34 88.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.449 176.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -57.44 19.7 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.504 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.1 t-20 -70.81 -5.99 34.46 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 16.5 m -130.77 141.61 50.37 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.66 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -57.13 -50.03 74.07 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.602 0.239 . . . . 0.0 111.544 -177.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.53 -42.28 91.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.54 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.7 tp10 -62.18 -46.14 90.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.621 -177.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -55.88 -49.42 73.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.82 -175.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.412 ' HH ' HD11 ' A' ' 599' ' ' LEU . 63.5 m-85 -66.33 -38.76 88.43 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.283 0.563 . . . . 0.0 110.967 -178.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -43.57 89.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.005 -173.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 70.1 mt -63.18 -50.13 71.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.078 -177.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.408 HD13 HD12 ' A' ' 603' ' ' LEU . 13.7 mt -62.45 -40.96 98.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.628 -178.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.89 78.79 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.727 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -55.94 -47.12 78.13 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.01 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -63.8 -40.16 95.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.553 -171.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 75.5 mt -60.88 -49.42 84.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.596 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -66.21 -38.69 88.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.038 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -60.45 -47.57 85.52 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.171 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.476 HD11 HG12 ' A' ' 611' ' ' ILE . 1.3 mt -63.64 -39.18 84.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.915 177.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -64.58 -38.96 92.82 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.182 0.515 . . . . 0.0 109.961 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -64.32 -43.0 96.03 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.222 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.6 -42.53 95.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.512 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.466 ' O ' ' HG3' ' A' ' 668' ' ' ARG . 86.3 mt -58.2 -45.29 87.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.865 0.364 . . . . 0.0 110.087 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.77 -42.7 94.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.757 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -58.43 -44.32 89.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.049 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -64.1 -38.15 90.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 664' ' ' LEU . 95.5 mtt180 -63.41 -7.38 6.48 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -49.03 -35.2 14.98 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.652 171.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 68.3 m -102.24 -39.1 7.37 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.647 174.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.541 ' HG2' ' N ' ' A' ' 672' ' ' LEU . 16.5 ttp180 78.24 162.36 0.21 Allowed 'General case' 0 C--N 1.353 0.723 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 167.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . 0.541 ' N ' ' HG2' ' A' ' 671' ' ' ARG . 97.0 mt . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.813 -0.613 . . . . 0.0 109.699 172.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 . . . . . 0 C--O 1.235 0.293 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . 48.98 78.02 0.09 Allowed 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.835 0.709 . . . . 0.0 112.202 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 126.92 140.16 5.14 Favored Glycine 0 N--CA 1.438 -1.186 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.186 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -83.83 -8.68 59.16 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 5.5 mt -96.1 149.01 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.78 0.324 . . . . 0.0 110.497 -177.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.434 HD12 HG13 ' A' ' 660' ' ' ILE . 1.7 mt -93.0 158.19 37.92 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.232 -172.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' B' ' 845' ' ' LEU . 11.1 Cg_endo -53.98 123.02 12.45 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.402 2.735 . . . . 0.0 113.832 -176.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 11.3 p -55.99 -36.51 67.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.355 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -52.77 -49.04 66.34 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.098 -175.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 32.3 mm -64.6 -38.36 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.663 0.268 . . . . 0.0 110.508 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.463 ' O ' HD21 ' B' ' 854' ' ' LEU . 7.6 mmt -56.93 -45.59 82.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.946 0.403 . . . . 0.0 110.786 177.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -65.02 -39.0 92.76 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.679 0.276 . . . . 0.0 111.347 174.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . 0.451 ' CE2' ' HG3' ' A' ' 624' ' ' ARG . 13.3 t80 -61.47 -47.21 86.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 -178.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . 0.408 HG21 HG22 ' A' ' 611' ' ' ILE . 8.3 p -65.82 -38.67 82.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 111.422 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . 0.463 HD21 ' O ' ' B' ' 850' ' ' MET . 2.4 mm? -55.65 -35.74 66.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.645 174.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -84.7 13.31 5.87 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.011 0.434 . . . . 0.0 111.022 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -93.1 130.73 38.63 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 8.5 m -110.57 100.93 47.28 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 120.455 0.169 . . . . 0.0 111.098 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo . . . . . 0 C--O 1.252 1.184 0 C-N-CA 122.442 2.094 . . . . 0.0 111.964 176.677 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.817 0 N-CA-C 112.17 -0.372 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 29.6 m -95.77 149.43 4.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.83 0.348 . . . . 0.0 111.19 -177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -12.82 26.51 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.876 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' A' ' 589' ' ' LYS . 21.1 pttp -94.11 67.57 3.64 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 122.411 1.1 . . . . 0.0 109.602 176.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -122.62 46.21 1.13 Allowed Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.507 -174.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -54.06 4.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.539 0.685 . . . . 0.0 109.779 176.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -95.94 5.02 52.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.651 -172.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 594' ' ' HIS . 8.3 pt-20 -50.3 -39.8 46.7 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -172.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.401 ' N ' ' HG3' ' A' ' 593' ' ' GLU . 5.5 p-80 -77.32 26.34 0.16 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -177.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 82.0 t -129.14 132.83 66.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 171.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.469 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.7 t -93.49 157.85 16.0 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 121.001 -0.279 . . . . 0.0 111.124 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -61.55 -39.65 91.86 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.53 -39.99 74.3 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.922 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 18.9 tp -57.68 -51.03 71.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.866 178.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -66.01 -45.38 81.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.604 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' SER . . . . . 0.454 ' O ' ' HD2' ' A' ' 605' ' ' HIS . 35.2 p -64.04 -39.86 95.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.974 -176.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -57.59 -43.71 84.84 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.145 0.498 . . . . 0.0 110.123 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 65.7 mt -63.86 -36.23 83.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.515 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.59 -43.85 95.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.961 0.41 . . . . 0.0 110.257 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.454 ' HD2' ' O ' ' A' ' 601' ' ' SER . 61.7 m-70 -60.0 -37.78 80.68 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.537 177.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 603' ' ' LEU . 31.2 mmmt -55.48 -48.55 74.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.545 177.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.2 tt -65.16 -41.62 94.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.418 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.429 HG12 HD12 ' A' ' 628' ' ' LEU . 96.9 t -60.63 -47.49 92.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.923 0.392 . . . . 0.0 110.385 176.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -58.13 -38.35 76.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.54 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.81 84.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.025 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.4 mt -83.88 -33.67 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -157.13 93.59 2.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -173.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -79.42 -36.84 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 121.884 1.723 . . . . 0.0 112.648 -175.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 20.3 p -67.09 117.25 44.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -176.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -81.2 61.72 8.24 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.153 2.568 . . . . 0.0 111.806 177.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 620' ' ' LEU . 19.3 t70 -63.91 127.61 91.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.153 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.17 -28.33 83.56 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.266 2.644 . . . . 0.0 113.474 -175.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -87.93 -49.92 6.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.828 0.347 . . . . 0.0 110.654 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -59.89 -28.23 67.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.593 177.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 616' ' ' ASP . 0.2 OUTLIER -64.81 -32.37 74.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.295 0.569 . . . . 0.0 109.74 179.165 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -93.89 11.64 28.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.906 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -89.83 131.89 35.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.067 0.461 . . . . 0.0 110.252 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -61.21 -37.55 83.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.299 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -64.83 -38.17 90.08 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.476 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 0.0 OUTLIER -55.69 -43.74 76.7 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.046 175.112 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.89 -38.14 78.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.852 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -60.51 -40.72 92.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.033 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 625' ' ' MET . 0.7 OUTLIER -66.63 -38.36 86.78 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.335 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.85 -42.97 96.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 121.218 0.533 . . . . 0.0 109.563 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -60.12 -37.99 81.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.633 175.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -60.91 -40.01 91.5 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.62 98.41 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.865 0.364 . . . . 0.0 110.074 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 630' ' ' ALA . 31.5 mmtp -54.47 -50.12 68.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.883 172.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 630' ' ' ALA . 67.7 mttm -55.78 -44.48 77.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.556 176.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.589 ' O ' ' HG2' ' A' ' 639' ' ' MET . 6.4 t -54.84 -47.09 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.805 172.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 633' ' ' LYS . 7.9 tt0 -55.54 -41.47 73.26 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 122.631 0.372 . . . . 0.0 110.77 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.21 -47.91 80.17 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.587 177.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.74 -42.2 97.91 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.991 0.424 . . . . 0.0 110.938 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.9 mmt -61.67 -37.4 83.96 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.39 178.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -51.26 -38.97 55.62 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 123.594 0.559 . . . . 0.0 111.574 -174.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.44 -50.28 59.97 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.228 0.537 . . . . 0.0 110.636 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' SER . . . . . 0.547 ' C ' ' H ' ' A' ' 644' ' ' ASN . 4.5 t -64.68 -35.81 82.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.236 -178.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -56.5 22.2 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.518 1.527 . . . . 0.0 114.527 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.547 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.8 t-20 -73.31 -3.77 29.09 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -177.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 43.2 m -135.11 133.67 39.46 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -55.76 -50.09 71.36 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.29 -40.4 96.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.34 -43.7 98.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.62 -49.14 73.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.067 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -64.35 -38.37 90.79 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 111.755 0.279 . . . . 0.0 111.755 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -65.37 -41.1 94.15 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.971 0.415 . . . . 0.0 110.494 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.442 ' O ' ' HD3' ' A' ' 656' ' ' LYS . 39.7 mt -61.95 -52.32 64.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.031 -178.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.45 ' CD1' HD11 ' A' ' 603' ' ' LEU . 9.2 mt -60.69 -44.64 96.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.187 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.11 -42.05 80.12 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.659 178.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -59.82 -50.03 75.4 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.442 ' HD3' ' O ' ' A' ' 652' ' ' LEU . 2.7 mptp? -64.89 -40.02 94.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.858 -175.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.71 -44.72 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.349 . . . . 0.0 110.389 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . 0.517 ' O ' ' HG3' ' A' ' 662' ' ' LYS . 5.8 t80 -64.5 -38.61 91.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.367 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -56.99 -46.38 82.31 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-O 120.743 0.306 . . . . 0.0 110.645 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.449 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 0.8 OUTLIER -61.54 -38.32 79.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.148 176.822 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.34 -40.35 93.56 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.229 0.538 . . . . 0.0 109.746 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 658' ' ' TYR . 7.0 mtpm? -65.12 -40.45 94.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.525 177.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.56 -48.03 82.84 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 93.9 mt -59.26 -40.6 86.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.047 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 669' ' ' ARG . 31.9 tt0 -60.55 -50.66 72.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.421 178.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -60.26 -39.76 87.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.585 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.419 ' HE3' ' HB3' ' A' ' 667' ' ' LYS . 19.4 mtpp -61.41 -42.38 98.64 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.05 -178.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -80.69 -24.27 38.99 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.71 0.767 . . . . 0.0 111.178 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 665' ' ' GLU . 5.0 tmm_? -72.08 -35.13 69.16 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.459 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 22.9 t -102.04 8.99 40.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.37 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -41.51 116.24 0.74 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.176 175.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 98.7 mt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.668 -0.682 . . . . 0.0 110.727 -176.632 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 . . . . . 0 C--O 1.232 0.152 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . 50.12 92.81 0.02 OUTLIER 'General case' 0 C--O 1.235 0.294 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 142.01 132.14 2.7 Favored Glycine 0 N--CA 1.436 -1.366 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.536 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -75.1 -4.84 40.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.749 0.309 . . . . 0.0 111.281 -177.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 11.4 mt -92.25 141.66 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.427 HD12 HG13 ' A' ' 660' ' ' ILE . 5.8 mp -81.36 149.22 64.91 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -178.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.22 135.04 52.44 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.574 2.85 . . . . 0.0 114.152 -172.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 847' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' B' ' 850' ' ' MET . 19.2 m -59.67 -37.76 79.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.038 177.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.99 -43.42 86.55 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.864 -176.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 19.9 mm -64.42 -39.18 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.451 ' HE2' ' HA ' ' B' ' 850' ' ' MET . 32.5 mmt -57.4 -39.08 75.38 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.751 175.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -55.07 -39.86 69.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 110.74 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -64.44 -49.33 71.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.787 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.05 -40.14 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.398 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . 0.437 HD23 ' O ' ' B' ' 850' ' ' MET . 2.9 mm? -60.34 -38.47 83.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.154 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . 0.42 ' HZ2' ' HB3' ' B' ' 855' ' ' LYS . 6.5 ttpm? -76.76 -16.72 59.4 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -172.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -122.1 151.17 41.2 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.869 -0.519 . . . . 0.0 111.345 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 40.8 m -152.26 95.11 3.18 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.894 175.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 123.106 2.537 . . . . 0.0 112.547 -178.391 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.461 0 N-CA-C 112.286 -0.325 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 29.1 m -106.62 147.37 12.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 -178.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.443 ' C ' ' HD2' ' A' ' 588' ' ' ARG . 7.2 ppt_? -84.38 -20.4 31.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.412 -178.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -115.27 101.36 8.87 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -159.95 68.72 0.25 Allowed Glycine 0 N--CA 1.434 -1.463 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.783 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.36 -56.33 3.69 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.671 0.748 . . . . 0.0 109.638 178.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -96.14 4.41 52.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.264 -174.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -54.12 -33.05 56.83 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -173.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -76.96 21.19 0.22 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 84.6 t -128.07 129.6 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 170.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.496 HG21 ' H ' ' A' ' 599' ' ' LEU . 4.0 t -90.41 160.38 16.08 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.085 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -64.25 -39.78 94.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.966 0.412 . . . . 0.0 110.057 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -56.62 -40.88 76.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.824 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.555 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 15.1 tp -60.0 -44.47 94.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.228 0.537 . . . . 0.0 110.162 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -64.72 -49.7 69.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.791 -175.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 24.8 p -66.09 -41.65 90.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.651 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -61.36 -43.89 98.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.942 -175.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 92.4 mt -61.3 -37.17 82.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.783 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.44 HG11 ' HZ3' ' A' ' 633' ' ' LYS . 73.4 t -58.9 -40.38 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.133 0.492 . . . . 0.0 110.379 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.417 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 12.4 m-70 -62.95 -39.22 93.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.393 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -56.81 -44.45 82.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.52 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.91 -44.53 89.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.244 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.406 HG13 HD13 ' A' ' 628' ' ' LEU . 92.4 t -60.15 -48.17 89.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.063 176.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 15.0 mm100 -58.17 -38.52 76.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.993 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.35 -38.93 72.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.033 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.406 ' CG1' HD12 ' A' ' 660' ' ' ILE . 32.4 mt -78.47 -38.98 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -157.83 100.8 1.81 Allowed Pre-proline 0 CA--C 1.53 0.174 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -171.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -80.43 -31.49 1.59 Allowed 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 122.212 1.941 . . . . 0.0 113.679 -172.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 13.5 p -83.68 111.77 34.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -175.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -81.15 82.56 2.4 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.061 2.507 . . . . 0.0 112.255 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -70.13 128.56 91.45 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.133 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.0 -26.5 75.31 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.183 2.589 . . . . 0.0 113.946 -177.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -89.31 -50.94 5.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 0.0 110.458 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -56.04 -26.69 50.12 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.44 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -26.92 69.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.05 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . 0.419 ' HZ1' ' HB3' ' A' ' 621' ' ' LYS . 9.3 mtpm? -104.51 16.01 26.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.252 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -99.94 135.45 41.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.155 0.502 . . . . 0.0 110.235 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -56.37 -38.36 71.35 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.698 -174.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -59.88 -41.74 92.23 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.8 0.333 . . . . 0.0 110.75 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.542 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 5.3 tpp -62.83 -40.69 98.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.664 175.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.16 -38.94 92.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.921 -178.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.95 -43.14 91.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.044 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.0 OUTLIER -67.81 -38.39 83.22 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.056 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.443 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 94.6 t -64.81 -43.74 96.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.187 0.517 . . . . 0.0 109.848 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -59.32 -38.6 80.7 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.233 176.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -57.74 -41.07 81.15 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.506 0.193 . . . . 0.0 110.777 177.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.42 -42.96 95.76 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.936 0.398 . . . . 0.0 110.589 177.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.644 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 37.9 mmtm -52.56 -50.99 61.83 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.026 171.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -55.44 -45.23 76.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.901 175.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.537 ' O ' ' HG2' ' A' ' 639' ' ' MET . 16.3 t -54.05 -49.61 59.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.697 177.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.644 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 4.4 pt-20 -56.09 -40.35 73.52 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.572 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.66 -48.2 75.29 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.519 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.62 -45.6 89.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.945 0.403 . . . . 0.0 111.009 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.548 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 19.9 mmt -61.63 -36.24 80.21 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.379 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -49.36 -36.85 22.72 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.809 0.693 . . . . 0.0 112.577 -172.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -66.03 -51.0 62.2 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.39 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' SER . . . . . 0.534 ' C ' ' H ' ' A' ' 644' ' ' ASN . 15.1 m -64.65 -37.88 89.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.0 178.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -54.88 21.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.485 1.514 . . . . 0.0 114.903 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.534 ' H ' ' C ' ' A' ' 642' ' ' SER . 1.3 t30 -82.74 19.7 1.28 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 70.1 p -155.66 146.76 22.48 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -57.11 -47.8 80.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.799 0.333 . . . . 0.0 111.165 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.51 -46.59 89.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.72 -176.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.2 -45.1 89.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.963 -177.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -49.87 74.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -175.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -64.88 -38.29 90.49 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -64.83 -46.87 80.1 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.881 0.372 . . . . 0.0 110.513 -174.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.548 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 80.7 mt -59.92 -49.26 78.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.546 -177.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.57 ' O ' HG13 ' A' ' 657' ' ' ILE . 5.3 mt -63.68 -44.67 93.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.871 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -58.25 -45.71 87.31 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.627 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 19.1 tt0 -56.35 -44.18 79.83 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.61 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -61.01 -40.53 93.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.525 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.57 HG13 ' O ' ' A' ' 653' ' ' LEU . 31.2 mt -62.75 -39.87 86.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.946 0.403 . . . . 0.0 109.97 -178.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -64.38 -39.29 93.57 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.274 175.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 74.9 mmtt -59.2 -41.12 87.79 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.161 0.505 . . . . 0.0 110.201 177.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.52 HG13 HD13 ' B' ' 845' ' ' LEU . 0.2 OUTLIER -56.66 -37.91 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.232 176.35 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 665' ' ' GLU . 75.5 mt-30 -65.15 -41.29 94.89 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -173.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . 0.487 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 97.2 mttt -65.54 -45.69 82.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.65 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.664 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 44.1 mm-40 -57.11 -49.4 76.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 94.7 mt -58.95 -44.1 91.38 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.1 -177.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' A' ' 669' ' ' ARG . 23.9 mm-40 -64.74 -47.0 79.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.269 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 662' ' ' LYS . 72.7 mt-10 -60.45 -40.32 90.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.072 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.664 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 27.6 mmtp -66.23 -41.02 90.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.155 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -77.65 -10.39 59.49 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.459 0.647 . . . . 0.0 111.598 -174.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 665' ' ' GLU . 67.1 mtm180 -57.22 -37.25 71.95 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.237 173.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 95.5 p -105.38 -46.95 4.07 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.186 176.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -61.94 95.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.204 0.526 . . . . 0.0 110.501 171.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 79.5 mt . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.565 -0.731 . . . . 0.0 109.726 178.296 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 CA--C 1.517 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -92.45 44.06 1.15 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.403 0.62 . . . . 0.0 109.775 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 71.72 68.3 1.65 Allowed Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.624 -175.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -92.59 8.83 37.26 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.218 -0.491 . . . . 0.0 110.909 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 51.3 mt -133.63 150.27 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -177.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.52 HD13 HG13 ' A' ' 660' ' ' ILE . 5.3 mp -90.76 134.01 31.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 177.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.26 131.43 43.18 Favored 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 123.034 2.489 . . . . 0.0 112.247 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.7 t -55.31 -38.83 69.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.272 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -55.29 -47.97 74.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.786 -177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 29.8 mm -64.98 -40.45 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.161 0.505 . . . . 0.0 110.463 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.508 ' SD ' HG12 ' A' ' 660' ' ' ILE . 2.6 mmt -61.07 -37.99 84.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.378 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.8 -36.86 65.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.714 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -54.22 -49.68 68.88 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -173.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 3.0 p -64.42 -40.1 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 111.537 -176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . 0.458 ' HG ' ' CB ' ' A' ' 667' ' ' LYS . 4.3 mm? -65.92 -38.93 89.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.761 0.315 . . . . 0.0 110.464 175.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -71.84 -56.69 5.28 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.895 0.379 . . . . 0.0 110.567 -177.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -101.32 128.53 47.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.234 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 9.0 m -146.93 99.64 4.0 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.276 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo . . . . . 0 C--O 1.248 0.98 0 C-N-CA 123.224 2.616 . . . . 0.0 112.262 178.647 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.862 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . 0.461 HG21 ' HD2' ' A' ' 589' ' ' LYS . 35.0 m -79.63 156.16 4.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 173.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.635 ' HD2' ' O ' ' A' ' 588' ' ' ARG . 3.4 ppt_? -91.29 14.32 14.8 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.1 -172.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.461 ' HD2' HG21 ' A' ' 587' ' ' VAL . 0.1 OUTLIER -37.72 124.03 1.06 Allowed 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.991 0.807 . . . . 0.0 111.593 -179.14 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -171.38 74.06 0.1 Allowed Glycine 0 N--CA 1.434 -1.477 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.199 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -64.47 1.03 Allowed 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -93.75 5.2 52.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.777 -174.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.28 -29.64 1.06 Allowed 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -176.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -71.39 6.82 1.59 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.782 0.325 . . . . 0.0 111.853 176.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 73.6 t -134.79 133.48 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 168.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.546 HG21 ' H ' ' A' ' 599' ' ' LEU . 3.5 t -90.62 153.83 20.03 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.371 175.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -63.56 -39.01 93.3 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -55.6 -38.23 69.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.685 178.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.586 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 16.8 tp -56.21 -49.41 74.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.328 177.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -64.99 -43.97 90.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.543 -178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 12.0 p -64.42 -38.92 92.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.881 0.372 . . . . 0.0 110.539 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -61.0 -44.16 97.82 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.21 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 55.8 mt -62.49 -37.15 84.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.305 -178.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.58 -44.61 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.93 0.395 . . . . 0.0 110.241 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -64.74 -40.29 95.07 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.02 -40.31 73.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.386 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.41 -50.09 68.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.042 176.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 92.9 t -56.28 -49.02 78.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.504 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.47 -37.52 78.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.792 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -55.62 -39.41 70.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.731 0.3 . . . . 0.0 110.939 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 28.8 mt -83.2 -32.29 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.536 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -156.19 91.34 2.64 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -172.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . 0.465 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 57.9 Cg_endo -81.43 -25.04 4.03 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.301 2.001 . . . . 0.0 113.108 -174.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 23.2 p -86.59 106.58 10.82 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.648 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 6.2 Cg_exo -81.56 82.64 2.32 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.122 2.548 . . . . 0.0 112.024 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.424 ' HB3' ' HB1' ' A' ' 619' ' ' ALA . 26.8 t70 -69.23 130.99 90.67 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.72 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.78 -26.65 48.68 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.27 2.647 . . . . 0.0 113.761 -176.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -93.92 -52.36 4.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.702 0.286 . . . . 0.0 110.902 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 616' ' ' ASP . . . -57.01 -27.18 61.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.341 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.439 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -60.44 -26.43 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.459 0.647 . . . . 0.0 109.618 178.086 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -101.53 17.83 21.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.897 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -90.66 133.68 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.123 0.487 . . . . 0.0 110.368 -176.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -55.95 -39.41 71.69 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -63.68 -38.95 93.03 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.43 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.439 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 43.1 ttm -57.6 -38.74 75.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.002 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.84 -38.78 83.06 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.079 0.466 . . . . 0.0 110.141 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . 0.431 ' N ' HD21 ' A' ' 627' ' ' ASN . 0.9 OUTLIER -62.01 -39.8 93.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.683 177.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -41.82 86.67 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.434 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 69.1 t -65.81 -41.59 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.353 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -60.79 -39.19 87.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.765 176.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -64.9 -38.22 90.24 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 175.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.63 97.24 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.005 0.431 . . . . 0.0 109.851 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.58 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 29.6 mmtp -57.91 -49.92 75.12 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.578 0.704 . . . . 0.0 111.16 173.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -54.78 -46.24 74.4 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.841 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.569 ' O ' ' HG2' ' A' ' 639' ' ' MET . 8.0 t -56.71 -50.63 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.488 175.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.5 OUTLIER -58.69 -38.52 78.44 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.501 -178.479 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -62.95 -46.59 93.25 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.379 178.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -63.89 -43.54 95.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.126 0.488 . . . . 0.0 110.341 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.569 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 20.5 mmt -64.16 -38.0 89.49 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.754 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -51.94 -36.89 50.82 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.623 0.577 . . . . 0.0 111.773 -177.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.24 -49.12 68.3 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.548 176.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' SER . . . . . 0.495 ' C ' ' H ' ' A' ' 644' ' ' ASN . 18.7 m -64.69 -37.16 86.65 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.987 178.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . 0.421 ' C ' ' H ' ' A' ' 645' ' ' SER . . . -51.0 20.8 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 116.423 2.009 . . . . 0.0 116.423 -179.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.495 ' H ' ' C ' ' A' ' 642' ' ' SER . 0.2 OUTLIER -77.29 17.26 0.5 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 -177.83 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 645' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 643' ' ' ALA . 68.1 m -155.39 135.3 12.84 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -54.59 -49.93 69.23 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.662 0.268 . . . . 0.0 111.557 -176.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.89 -40.18 96.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -176.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -64.6 -46.33 83.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.907 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.11 -49.37 74.05 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -178.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.423 ' HH ' HD13 ' A' ' 599' ' ' LEU . 44.6 m-85 -64.73 -38.89 92.52 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -65.89 -45.35 82.35 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.772 -174.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.25 -49.87 75.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.122 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.585 ' O ' HG13 ' A' ' 657' ' ' ILE . 11.0 mt -62.81 -46.86 86.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.056 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.02 74.0 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.84 -40.5 95.52 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.392 0.615 . . . . 0.0 109.92 -178.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.446 ' HG2' HD13 ' B' ' 845' ' ' LEU . 13.0 ttpp -61.08 -43.28 99.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.447 178.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 653' ' ' LEU . 87.1 mt -60.55 -44.99 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.654 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . 0.408 ' CD2' ' HE3' ' A' ' 662' ' ' LYS . 3.3 t80 -61.09 -37.1 81.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -55.2 -45.55 75.85 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 110.905 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.433 HD11 HG22 ' A' ' 660' ' ' ILE . 0.4 OUTLIER -64.3 -38.46 82.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.048 177.146 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -65.64 -38.27 88.89 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . 0.408 ' HE3' ' CD2' ' A' ' 658' ' ' TYR . 98.8 mttt -60.56 -43.13 97.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.262 177.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.55 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 2.1 mm-40 -59.17 -46.85 87.31 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.418 176.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.36 -45.11 94.66 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.165 0.29 . . . . 0.0 111.003 -178.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -64.55 -49.26 71.93 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.799 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . 0.462 ' O ' ' HB3' ' A' ' 669' ' ' ARG . 7.1 tp10 -59.4 -49.28 78.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.71 -175.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.586 ' HB3' ' HZ3' ' A' ' 667' ' ' LYS . 0.1 OUTLIER -66.39 -39.48 89.08 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.605 -177.877 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . 0.492 ' HG2' HD12 ' B' ' 854' ' ' LEU . 57.3 mtm180 -75.53 -21.02 58.31 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.842 0.83 . . . . 0.0 110.545 -177.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 666' ' ' GLU . 59.0 ttt180 -67.09 -30.15 70.11 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 114.112 -1.404 . . . . 0.0 110.672 174.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 10.3 t -84.65 9.64 13.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.993 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 22.6 ptt-85 -63.22 161.92 12.87 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.044 0.45 . . . . 0.0 111.269 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 98.3 mt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.621 -0.704 . . . . 0.0 109.62 176.86 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 121.341 0.591 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -90.43 123.06 33.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.405 -175.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 74.14 64.94 2.29 Favored Glycine 0 CA--C 1.505 -0.536 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.722 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -123.54 -69.08 0.83 Allowed 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.13 -0.535 . . . . 0.0 111.381 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 6.8 mt -104.93 145.17 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.446 HD13 ' HG2' ' A' ' 656' ' ' LYS . 5.1 mp -101.88 151.6 38.0 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -178.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.84 130.72 35.41 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.17 2.58 . . . . 0.0 113.355 -176.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 847' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' B' ' 850' ' ' MET . 46.8 m -55.74 -36.77 67.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.83 177.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -55.23 -41.14 71.7 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -177.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 16.4 mm -64.58 -38.48 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.617 ' O ' HG13 ' B' ' 853' ' ' VAL . 4.6 mmt -62.22 -38.93 91.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.578 175.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -57.33 -38.97 74.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.669 176.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -61.21 -42.47 98.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.758 -176.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . 0.617 HG13 ' O ' ' B' ' 850' ' ' MET . 11.4 p -65.19 -38.09 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 120.878 0.37 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . 0.492 HD12 ' HG2' ' A' ' 668' ' ' ARG . 3.9 mm? -65.66 -38.64 89.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.592 0.234 . . . . 0.0 110.933 173.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -74.2 -49.25 24.27 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.784 0.326 . . . . 0.0 111.047 -176.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -104.8 126.93 52.37 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 857' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' B' ' 858' ' ' PRO . 54.9 m -148.93 121.09 4.35 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 857' ' ' THR . 24.5 Cg_exo . . . . . 0 C--O 1.251 1.162 0 C-N-CA 122.94 2.427 . . . . 0.0 112.121 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.577 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 15.4 m -144.24 163.1 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -174.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.454 ' HD2' ' O ' ' A' ' 588' ' ' ARG . 5.9 ppt_? -72.89 14.24 0.3 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -176.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.521 ' HB3' ' HZ3' ' A' ' 589' ' ' LYS . 6.9 ttpm? -131.5 121.05 23.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.703 0.287 . . . . 0.0 110.356 175.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 83.88 53.87 3.22 Favored Glycine 0 C--N 1.333 0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.439 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.54 -51.56 5.84 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.524 0.678 . . . . 0.0 111.273 -172.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -96.73 4.28 51.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.753 -169.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.472 ' C ' ' H ' ' A' ' 595' ' ' VAL . 15.1 pt-20 -60.1 -25.99 65.86 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -172.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -75.73 24.15 0.12 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.187 0.518 . . . . 0.0 111.571 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.472 ' H ' ' C ' ' A' ' 593' ' ' GLU . 61.0 t -138.0 133.97 44.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 173.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.54 HG21 ' H ' ' A' ' 599' ' ' LEU . 4.0 t -92.07 156.42 17.4 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.27 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -63.9 -38.75 92.22 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -55.8 -39.47 71.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.753 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.592 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 19.8 tp -56.28 -49.97 72.74 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.719 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -64.91 -44.12 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.604 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 17.7 p -64.88 -39.16 93.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.936 0.398 . . . . 0.0 110.198 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -56.28 -47.83 77.84 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.331 175.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 37.7 mt -62.22 -38.53 89.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.147 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.439 ' O ' HG22 ' A' ' 608' ' ' VAL . 53.0 t -64.28 -49.69 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.333 . . . . 0.0 110.535 -178.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -65.38 -40.0 92.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.949 0.404 . . . . 0.0 110.316 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -61.64 -39.54 91.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.482 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.88 -44.94 91.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.79 176.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.442 HG12 HD12 ' A' ' 628' ' ' LEU . 94.7 t -55.76 -45.81 79.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 121.029 0.443 . . . . 0.0 110.783 173.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -55.73 -39.91 71.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.209 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.64 92.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.48 178.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.2 mt -78.14 -27.7 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.511 -177.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -148.13 89.78 5.16 Favored Pre-proline 0 C--N 1.328 -0.363 0 C-N-CA 121.236 -0.185 . . . . 0.0 110.578 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -77.22 -36.84 1.21 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 121.733 1.622 . . . . 0.0 112.605 -176.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 35.3 p -64.91 126.04 90.29 Favored Pre-proline 0 C--O 1.235 0.325 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 6.0 Cg_exo -81.67 76.12 4.51 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.999 2.466 . . . . 0.0 111.352 174.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -86.01 113.74 53.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.951 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -54.06 -32.94 71.38 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 123.108 2.538 . . . . 0.0 113.278 -176.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -71.27 -50.95 27.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.506 178.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -59.14 -32.49 69.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.878 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -36.69 74.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.144 0.497 . . . . 0.0 110.226 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -103.23 16.43 26.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.985 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -99.37 131.94 45.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.905 0.383 . . . . 0.0 110.1 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -54.96 -34.76 63.58 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.943 177.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.487 ' HB2' ' CE2' ' B' ' 852' ' ' PHE . 10.3 ptt180 -53.15 -38.53 62.81 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 121.214 -0.194 . . . . 0.0 110.888 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.533 ' O ' HG21 ' A' ' 629' ' ' VAL . 38.7 ttm -62.07 -38.34 88.43 Favored 'General case' 0 CA--C 1.527 0.085 0 CA-C-O 120.626 0.25 . . . . 0.0 110.736 178.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -58.04 -39.34 78.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.406 -177.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . 0.452 ' N ' HD21 ' A' ' 627' ' ' ASN . 0.9 OUTLIER -61.83 -48.69 79.46 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.084 -179.586 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.442 HD12 HG12 ' A' ' 608' ' ' VAL . 1.1 pp -66.15 -36.78 84.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.143 -178.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 625' ' ' MET . 81.8 t -63.62 -40.62 89.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.061 0.458 . . . . 0.0 110.068 176.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -58.24 -38.72 77.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.259 177.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -60.19 -39.3 86.02 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.6 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.94 99.03 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.936 0.398 . . . . 0.0 110.349 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 630' ' ' ALA . 30.0 mmtp -54.44 -49.57 69.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.953 173.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -55.25 -47.89 74.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.338 176.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.632 ' O ' ' HG2' ' A' ' 639' ' ' MET . 16.8 t -55.86 -51.34 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.648 176.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.6 OUTLIER -60.16 -39.34 86.08 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.544 -178.085 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -61.84 -45.25 96.59 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.597 177.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -64.18 -44.98 90.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.053 0.454 . . . . 0.0 110.901 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.632 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 21.9 mmt -63.92 -36.01 82.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.521 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -49.67 -38.16 31.59 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.16 -173.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.47 -50.68 62.49 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 120.304 -0.559 . . . . 0.0 110.884 177.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' SER . . . . . 0.518 ' C ' ' H ' ' A' ' 644' ' ' ASN . 9.3 m -64.3 -36.96 85.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.214 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.91 21.21 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.782 1.633 . . . . 0.0 115.318 178.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.518 ' H ' ' C ' ' A' ' 642' ' ' SER . 4.2 t-20 -70.18 -9.87 57.08 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 25.6 m -132.34 142.57 49.38 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -55.5 -50.53 69.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.718 0.294 . . . . 0.0 111.606 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -62.39 -40.93 98.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.987 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.26 -47.14 86.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.812 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.85 -49.99 73.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.205 -175.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -64.21 -37.99 89.46 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 120.713 0.292 . . . . 0.0 111.654 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -64.3 -49.06 73.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.909 -174.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.572 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 75.8 mt -61.39 -50.31 73.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.132 -176.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 603' ' ' LEU . 9.1 mt -61.75 -44.51 96.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.122 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.52 -47.25 79.74 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.662 -178.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 17.4 tt0 -59.71 -47.79 84.25 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.644 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 30.1 mmmt -63.63 -41.08 98.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.584 -176.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.524 ' O ' ' HG3' ' A' ' 661' ' ' GLN . 75.6 mt -62.31 -43.83 98.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -64.54 -39.05 93.04 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.751 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 74.5 mmtt -60.81 -45.14 95.59 Favored 'General case' 0 C--O 1.23 0.078 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.607 -177.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.502 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 1.4 mt -63.86 -38.13 81.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.899 177.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 40.2 mt-30 -65.36 -39.53 92.46 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -63.23 -40.13 96.58 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.089 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 23.6 mm-40 -61.12 -42.54 98.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.193 177.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 83.5 mt -56.49 -45.36 81.04 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 110.647 179.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.27 -39.37 93.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.052 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.99 -38.21 87.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.832 178.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 27.4 mmmt -60.87 -41.52 96.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.257 0.551 . . . . 0.0 109.553 175.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -68.08 -24.43 65.05 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.632 0.729 . . . . 0.0 111.367 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -52.08 -35.41 47.54 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 113.841 -1.527 . . . . 0.0 112.806 -176.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' SER . . . . . 0.553 ' O ' ' HB2' ' A' ' 671' ' ' ARG . 1.2 t -100.78 -48.97 4.3 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 119.659 -0.816 . . . . 0.0 111.474 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.553 ' HB2' ' O ' ' A' ' 670' ' ' SER . 25.4 tpt180 170.86 68.91 0.0 OUTLIER 'General case' 0 C--N 1.348 0.542 0 CA-C-N 118.225 0.466 . . . . 0.0 110.328 168.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.242 0.698 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.843 175.363 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 121.044 0.45 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -80.2 -0.63 37.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.462 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 99.15 136.59 9.42 Favored Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.185 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -61.68 -38.86 89.35 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 15.1 mt -73.61 137.16 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.033 177.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.492 HD13 HG13 ' A' ' 660' ' ' ILE . 3.7 mp -95.11 154.3 39.6 Favored Pre-proline 0 C--N 1.328 -0.354 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -176.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -47.33 118.79 3.09 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.917 3.078 . . . . 0.0 113.944 -176.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 847' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' B' ' 850' ' ' MET . 22.3 t -55.66 -35.33 65.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.386 177.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -53.63 -39.92 65.39 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -174.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 26.7 mm -64.38 -39.21 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.443 ' HB2' ' O ' ' B' ' 847' ' ' SER . 0.0 OUTLIER -60.88 -41.45 96.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.115 174.475 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -59.1 -40.73 86.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.578 174.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 624' ' ' ARG . 14.1 t80 -64.62 -48.1 76.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 -176.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.65 -46.26 89.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.463 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.41 -40.22 93.1 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -75.55 -27.98 58.86 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -170.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -93.88 128.05 39.97 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.768 -177.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 19.5 m -89.93 120.99 69.32 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.502 178.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . 0.409 ' HB3' HH21 ' A' ' 624' ' ' ARG . 74.7 Cg_endo . . . . . 0 C--O 1.249 1.055 0 C-N-CA 122.805 2.337 . . . . 0.0 112.658 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.784 0 N-CA-C 112.651 -0.179 . . . . 0.0 112.651 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 34.4 m -109.84 155.35 11.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.898 0.38 . . . . 0.0 111.208 -175.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.441 ' C ' ' HD2' ' A' ' 588' ' ' ARG . 4.9 ppt_? -109.71 3.19 20.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.45 0.643 . . . . 0.0 109.996 178.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -107.9 130.26 55.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.765 176.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . 0.75 ' O ' ' HG2' ' A' ' 593' ' ' GLU . . . -179.21 69.84 0.07 OUTLIER Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 110.644 -0.983 . . . . 0.0 110.644 -174.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . 0.518 ' HA ' ' NE2' ' A' ' 594' ' ' HIS . 5.2 m0 -57.79 -39.57 77.84 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -172.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -66.16 -20.0 66.01 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.75 ' HG2' ' O ' ' A' ' 590' ' ' GLY . 7.7 pt-20 -78.78 -22.53 46.23 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.342 -176.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.518 ' NE2' ' HA ' ' A' ' 591' ' ' TRP . 13.5 p80 -115.09 40.62 2.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.038 0.446 . . . . 0.0 111.993 -178.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 46.0 t -130.03 129.23 65.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 167.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.494 HG21 ' H ' ' A' ' 599' ' ' LEU . 2.8 t -96.54 163.53 12.99 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.56 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -62.99 -39.63 95.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.175 0.512 . . . . 0.0 109.877 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -58.16 -38.85 77.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.834 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.494 ' H ' HG21 ' A' ' 596' ' ' THR . 17.4 tp -55.46 -49.82 71.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.841 0.353 . . . . 0.0 110.447 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.427 ' HG2' ' OH ' ' A' ' 649' ' ' TYR . 38.1 mtm180 -65.12 -47.15 78.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.973 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' SER . . . . . 0.408 ' O ' ' HD2' ' A' ' 605' ' ' HIS . 21.0 p -65.0 -39.68 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.463 0.173 . . . . 0.0 111.216 -176.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -55.64 -43.98 76.73 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.157 0.503 . . . . 0.0 110.251 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.441 HD13 ' CD1' ' A' ' 653' ' ' LEU . 46.7 mt -64.23 -36.42 84.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.147 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.18 -43.9 94.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.96 0.41 . . . . 0.0 110.269 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.408 ' HD2' ' O ' ' A' ' 601' ' ' SER . 71.8 m-70 -62.19 -38.78 90.41 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.534 178.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -60.08 -40.5 89.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.684 0.278 . . . . 0.0 110.809 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.76 -45.26 87.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.891 178.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.432 HG13 HD11 ' A' ' 628' ' ' LEU . 99.1 t -58.6 -46.88 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.22 0.534 . . . . 0.0 110.606 175.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -55.45 -40.68 71.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.946 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.21 95.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.605 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 39.8 mt -78.61 -33.46 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.786 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -154.43 102.81 2.38 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.767 -172.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -81.86 -38.19 0.22 Allowed 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 122.161 1.907 . . . . 0.0 113.139 -175.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 22.9 p -73.11 111.39 11.38 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -81.2 68.73 8.15 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.078 2.519 . . . . 0.0 111.345 176.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -69.56 129.02 91.83 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.949 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -56.15 -26.28 59.52 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.137 2.558 . . . . 0.0 113.715 -176.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -85.91 -47.61 9.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -59.04 -30.88 68.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.47 176.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -31.28 72.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.178 0.513 . . . . 0.0 109.699 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -97.55 15.14 24.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.687 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . 0.4 ' OD2' ' HB2' ' A' ' 624' ' ' ARG . 16.0 t70 -99.87 133.54 44.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 -176.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . 0.408 ' HD3' ' OE1' ' A' ' 626' ' ' GLU . 34.4 mmt180 -56.68 -37.68 71.2 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.954 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.4 ' HB2' ' OD2' ' A' ' 622' ' ' ASP . 19.9 mtp180 -64.6 -38.84 92.38 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.637 -174.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.413 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 40.6 ttm -57.09 -39.41 74.96 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.923 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . 0.408 ' OE1' ' HD3' ' A' ' 623' ' ' ARG . 48.4 mt-10 -61.34 -38.38 86.69 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.631 0.253 . . . . 0.0 110.631 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . 0.463 ' N ' HD21 ' A' ' 627' ' ' ASN . 0.9 OUTLIER -60.06 -42.49 94.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 -179.189 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.432 HD11 HG13 ' A' ' 608' ' ' VAL . 0.7 OUTLIER -67.44 -38.88 85.21 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 78.4 t -65.52 -45.44 92.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.296 0.569 . . . . 0.0 109.785 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.487 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -60.47 -37.63 81.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.705 176.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -62.02 -39.17 91.37 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.71 99.35 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.779 0.323 . . . . 0.0 110.185 176.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.682 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 30.2 mmtp -55.24 -49.42 72.07 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.488 0.661 . . . . 0.0 111.605 172.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -54.79 -45.02 74.25 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.286 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.47 ' O ' ' HG2' ' A' ' 639' ' ' MET . 9.2 t -56.62 -51.45 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.124 175.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.682 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 1.5 pp20? -56.42 -39.69 73.47 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 120.617 0.246 . . . . 0.0 110.922 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.42 -48.49 73.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.386 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.45 -42.34 96.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 111.056 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.47 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 24.2 mmt -57.77 -39.19 76.86 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.298 177.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -51.57 -37.05 47.96 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.7 0.625 . . . . 0.0 111.773 -173.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.53 -50.27 63.76 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.798 178.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' SER . . . . . 0.533 ' C ' ' H ' ' A' ' 644' ' ' ASN . 2.9 t -66.03 -37.68 86.49 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.893 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . 0.453 ' C ' ' H ' ' A' ' 645' ' ' SER . . . -55.84 21.61 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.813 1.645 . . . . 0.0 114.82 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.533 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.8 t30 -79.41 23.23 0.4 Allowed 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.623 0.725 . . . . 0.0 109.677 -175.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 645' ' ' SER . . . . . 0.453 ' H ' ' C ' ' A' ' 643' ' ' ALA . 70.4 m -159.92 134.89 7.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -54.76 -51.08 66.8 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -171.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -63.46 -40.97 98.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.296 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.593 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 43.9 tt0 -59.34 -46.5 88.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.398 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . 0.427 ' OH ' ' HG2' ' A' ' 600' ' ' ARG . 2.6 t80 -55.9 -49.69 72.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.245 -177.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -65.41 -38.79 90.99 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -65.33 -42.69 92.65 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.552 -177.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 83.1 mt -60.3 -49.45 77.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.869 -175.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.441 ' CD1' HD13 ' A' ' 603' ' ' LEU . 8.0 mt -64.68 -48.93 72.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.212 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.86 96.31 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.767 0.318 . . . . 0.0 111.758 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 25.3 tt0 -63.75 -42.01 97.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.152 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.599 ' CG ' HD11 ' B' ' 845' ' ' LEU . 23.3 ttmm -60.87 -44.33 97.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 177.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 653' ' ' LEU . 79.0 mt -64.07 -42.49 95.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -61.6 -37.99 85.96 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 75.0 mmtt -59.22 -47.52 85.05 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.765 0.317 . . . . 0.0 110.292 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.566 HG12 ' SD ' ' B' ' 850' ' ' MET . 0.2 OUTLIER -61.74 -37.52 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.737 177.694 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -65.0 -42.36 94.57 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -65.91 -40.59 91.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.835 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.66 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 70.8 mm-40 -62.45 -43.52 98.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.126 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 85.2 mt -61.27 -49.03 78.73 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.166 0.291 . . . . 0.0 111.2 -178.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.27 -38.99 91.99 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.32 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -56.58 -41.48 77.03 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.014 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.66 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 40.1 mmtm -64.46 -42.21 96.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.51 -178.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -75.92 -21.02 57.52 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.99 0.9 . . . . 0.0 110.759 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -74.85 -32.41 61.89 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.147 -1.388 . . . . 0.0 110.175 175.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 12.8 m -95.81 -1.53 49.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.041 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -58.23 153.78 14.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.363 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 C--O 1.246 0.895 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.221 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . 0.421 ' C ' ' H ' ' B' ' 842' ' ' GLY . 1.7 m-20 . . . . . 0 CA--C 1.519 -0.214 0 CA-C-O 120.881 0.372 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . 68.27 -27.8 0.14 Allowed 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 177.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . 0.421 ' H ' ' C ' ' B' ' 840' ' ' ASP . . . 72.95 94.17 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.745 -177.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.25 -60.09 4.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.892 0.377 . . . . 0.0 111.757 -177.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 6.2 mt -106.24 145.64 13.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.544 -173.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.599 HD11 ' CG ' ' A' ' 656' ' ' LYS . 6.3 mp -94.08 157.02 38.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.687 -177.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.62 135.57 56.21 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.411 2.74 . . . . 0.0 112.889 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 32.5 t -55.43 -37.33 67.53 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.073 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.28 -47.58 69.04 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -172.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 22.3 mm -65.23 -39.86 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.048 0.452 . . . . 0.0 110.071 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.566 ' SD ' HG12 ' A' ' 660' ' ' ILE . 10.8 mmt -64.05 -41.26 97.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.603 177.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -61.08 -39.05 88.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.605 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -57.06 -48.41 78.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.498 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . 0.489 HG13 ' O ' ' B' ' 850' ' ' MET . 11.7 p -64.47 -39.45 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.947 -178.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . 0.404 HD22 ' O ' ' B' ' 850' ' ' MET . 3.9 mm? -64.63 -40.73 95.99 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.652 0.263 . . . . 0.0 110.71 175.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . 0.492 ' HZ1' ' HB2' ' B' ' 855' ' ' LYS . 0.1 OUTLIER -74.69 -29.0 61.06 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.549 -177.21 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -92.51 132.42 36.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.999 0.428 . . . . 0.0 110.735 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 8.2 m -123.24 85.92 51.65 Favored Pre-proline 0 N--CA 1.449 -0.501 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.024 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo . . . . . 0 C--O 1.25 1.097 0 C-N-CA 123.012 2.475 . . . . 0.0 112.123 -178.492 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 113.501 0.16 . . . . 0.0 113.501 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 34.9 m -81.23 154.81 4.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 120.823 0.344 . . . . 0.0 111.414 -174.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.86 -19.09 18.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.532 0.682 . . . . 0.0 109.927 174.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -111.78 101.42 9.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.301 173.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -157.08 67.28 0.29 Allowed Glycine 0 N--CA 1.434 -1.473 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.498 -177.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . 0.475 ' HE3' ' H ' ' A' ' 592' ' ' HIS . 0.0 OUTLIER -78.18 -62.93 1.52 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.556 0.694 . . . . 0.0 110.225 179.39 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.475 ' H ' ' HE3' ' A' ' 591' ' ' TRP . 25.7 m80 -83.01 -1.03 51.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.047 -0.978 . . . . 0.0 112.69 -170.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -51.55 -38.72 55.64 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -174.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -64.83 -4.41 4.38 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 54.9 t -139.14 131.69 37.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 118.336 0.516 . . . . 0.0 110.204 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.503 HG22 ' H ' ' A' ' 599' ' ' LEU . 4.9 t -95.48 159.4 15.01 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.626 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -62.34 -39.74 94.1 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.066 0.46 . . . . 0.0 110.213 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -57.25 -40.53 77.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.851 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.503 ' H ' HG22 ' A' ' 596' ' ' THR . 21.0 tp -56.02 -50.31 71.26 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.845 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.5 ' HD3' ' OE1' ' A' ' 636' ' ' GLU . 66.5 mtt-85 -59.14 -50.53 73.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.113 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 37.4 m -64.42 -33.94 77.04 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -65.64 -49.08 69.97 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-O 121.251 0.548 . . . . 0.0 109.761 -174.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 653' ' ' LEU . 35.9 mt -61.61 -39.01 89.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.439 -179.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 600' ' ' ARG . 53.0 t -59.22 -41.53 84.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 111.021 179.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -63.72 -38.03 89.56 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.612 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.3 -40.68 97.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.684 0.278 . . . . 0.0 110.744 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.11 -49.2 70.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.116 176.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 80.9 t -55.49 -43.49 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.082 174.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -56.6 -40.25 74.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.057 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.53 87.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.467 ' O ' HG23 ' B' ' 853' ' ' VAL . 24.3 mt -79.47 -37.53 18.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.745 -178.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -143.15 92.24 6.83 Favored Pre-proline 0 N--CA 1.451 -0.398 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -170.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -76.8 -35.58 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 121.947 1.765 . . . . 0.0 112.726 -174.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 23.1 p -63.61 111.01 4.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -176.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -82.2 73.18 5.78 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.101 2.534 . . . . 0.0 111.57 177.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.413 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 15.6 t70 -88.7 127.46 56.18 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.939 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -57.1 -32.15 92.44 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.357 2.705 . . . . 0.0 113.636 -175.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.61 -44.29 13.64 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' A' ' 622' ' ' ASP . . . -56.61 -29.9 62.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.305 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -30.02 71.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.088 0.47 . . . . 0.0 110.378 177.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -103.29 18.38 21.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.2 0.524 . . . . 0.0 110.481 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . 0.57 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 4.0 t70 -95.91 133.78 39.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.397 -173.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . 0.403 ' NH1' ' HG2' ' A' ' 626' ' ' GLU . 27.3 mmm180 -61.04 -39.31 89.34 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.083 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.572 ' HG3' ' CE2' ' B' ' 852' ' ' PHE . 20.4 ttp180 -55.08 -48.31 73.71 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 122.382 0.273 . . . . 0.0 110.727 175.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.543 ' O ' HG23 ' A' ' 629' ' ' VAL . 39.8 ttm -64.21 -40.44 96.08 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.052 175.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . 0.403 ' HG2' ' NH1' ' A' ' 623' ' ' ARG . 8.0 tp10 -60.74 -40.25 91.72 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -174.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -64.15 -41.73 97.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.566 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.0 OUTLIER -67.31 -38.76 85.47 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.086 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 625' ' ' MET . 88.4 t -64.57 -39.88 87.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.171 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -55.96 -39.19 71.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.402 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -65.05 -36.93 85.93 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . 0.532 ' O ' ' HB ' ' A' ' 635' ' ' VAL . . . -59.13 -37.64 77.74 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.169 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -63.73 -40.8 97.63 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.853 176.265 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -57.86 -38.04 75.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.818 0.342 . . . . 0.0 110.16 176.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.582 ' O ' ' HG2' ' A' ' 639' ' ' MET . 5.4 t -54.32 -49.62 62.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.977 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.0 OUTLIER -56.0 -38.57 70.66 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 178.363 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.57 -48.69 75.49 Favored Glycine 0 C--O 1.227 -0.288 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.641 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.71 -42.85 97.88 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.688 0.28 . . . . 0.0 111.664 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 19.7 mmt -59.62 -36.94 77.33 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.276 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -48.47 -37.62 17.84 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.728 -1.124 . . . . 0.0 113.121 -170.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -65.35 -53.16 47.61 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.051 0.841 . . . . 0.0 110.765 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' SER . . . . . 0.501 ' C ' ' H ' ' A' ' 644' ' ' ASN . 69.8 m -66.95 -39.11 87.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.676 177.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -58.83 20.02 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.501 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.3 t-20 -68.97 0.69 4.17 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.928 0.394 . . . . 0.0 110.519 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 45.1 p -137.42 150.46 47.66 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -57.78 -50.35 73.54 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.622 0.231 . . . . 0.0 111.622 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.47 -42.56 96.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.432 -175.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.6 tp10 -59.64 -41.89 91.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.612 -178.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -47.72 80.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.059 -175.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -64.16 -39.54 94.24 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.059 0.457 . . . . 0.0 110.88 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -65.52 -46.87 77.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.324 -172.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 39.8 mt -59.35 -49.94 75.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.307 -178.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 603' ' ' LEU . 10.6 mt -60.88 -46.85 88.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.926 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.89 84.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.744 0.307 . . . . 0.0 111.613 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -63.37 -49.02 75.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.577 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.421 ' HG2' HD13 ' B' ' 845' ' ' LEU . 31.3 ttmt -65.55 -40.21 92.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.457 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 653' ' ' LEU . 78.5 mt -64.44 -40.48 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.641 0.258 . . . . 0.0 110.831 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -61.9 -37.17 83.64 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -55.7 -45.13 77.91 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-O 120.873 0.368 . . . . 0.0 110.41 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.601 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 0.1 OUTLIER -59.0 -38.34 73.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.034 177.692 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -65.78 -38.47 89.1 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.993 0.425 . . . . 0.0 110.06 -176.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -65.17 -46.99 78.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.451 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.518 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 21.5 mm-40 -65.2 -44.72 87.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.586 -177.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 89.7 mt -58.89 -44.95 91.3 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.735 0.302 . . . . 0.0 110.285 178.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -60.21 -42.37 94.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.302 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.92 -51.07 68.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.295 -177.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 0.2 OUTLIER -68.63 -40.03 80.5 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 -178.662 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -69.9 -6.75 34.93 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.408 0.623 . . . . 0.0 111.65 -173.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -49.04 -35.37 15.53 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.572 -1.195 . . . . 0.0 110.845 170.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 92.2 p -113.35 -50.21 2.87 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.445 176.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 50.83 64.95 1.62 Allowed 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.482 0.489 . . . . 0.0 110.775 173.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.233 -177.79 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 . . . . . 0 N--CA 1.466 0.363 0 CA-C-O 121.13 0.491 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -90.99 56.39 3.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.31 0.576 . . . . 0.0 109.619 176.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 102.29 107.04 3.05 Favored Glycine 0 N--CA 1.439 -1.113 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -173.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.89 53.88 1.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.191 0.52 . . . . 0.0 111.355 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 17.2 mt -108.08 146.63 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.286 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.422 HD11 HG13 ' A' ' 660' ' ' ILE . 5.7 mp -79.63 140.15 55.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.28 129.91 10.86 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.831 3.021 . . . . 0.0 113.494 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 36.9 p -54.35 -36.83 64.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.982 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -54.62 -47.98 72.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.785 -178.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 28.0 mm -65.67 -40.85 89.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.038 0.447 . . . . 0.0 110.462 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -42.61 96.6 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.601 177.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.06 -40.25 95.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.721 174.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 624' ' ' ARG . 4.2 t80 -57.15 -48.73 77.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.445 -176.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 611' ' ' ILE . 3.3 p -65.61 -42.9 93.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.583 179.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.59 -38.53 91.32 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.564 0.221 . . . . 0.0 110.82 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . 0.414 ' HA ' ' HE3' ' B' ' 855' ' ' LYS . 2.2 tpmt? -64.3 -23.13 67.19 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.06 0.457 . . . . 0.0 110.58 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -106.64 161.7 14.4 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.191 0.52 . . . . 0.0 111.149 -176.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 86.2 m -147.36 117.91 4.49 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.789 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo . . . . . 0 C--O 1.249 1.069 0 C-N-CA 122.808 2.339 . . . . 0.0 112.49 -178.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.746 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . 0.453 HG21 ' HD2' ' A' ' 589' ' ' LYS . 34.1 m -99.08 158.62 3.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 120.835 0.35 . . . . 0.0 110.535 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.09 4.39 10.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -169.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.453 ' HD2' HG21 ' A' ' 587' ' ' VAL . 0.0 OUTLIER -50.27 131.97 24.12 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.104 0.478 . . . . 0.0 110.419 176.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -173.66 74.63 0.09 OUTLIER Glycine 0 N--CA 1.439 -1.123 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 -176.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -66.13 0.9 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.368 0.604 . . . . 0.0 110.508 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -92.18 1.39 57.24 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -169.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.59 -40.32 91.33 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -175.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.73 9.56 1.41 Allowed 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 178.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 42.9 t -128.82 131.4 68.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 O-C-N 121.846 -0.534 . . . . 0.0 111.056 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.48 HG21 ' H ' ' A' ' 599' ' ' LEU . 4.3 t -95.92 161.75 13.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.826 176.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -64.49 -39.73 94.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.521 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -56.23 -38.84 71.61 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.878 177.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.48 ' H ' HG21 ' A' ' 596' ' ' THR . 14.0 tp -54.55 -45.71 73.51 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.056 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -64.25 -49.64 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.375 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 50.6 p -64.72 -40.34 95.17 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.565 -173.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -58.13 -42.52 85.97 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.052 0.453 . . . . 0.0 110.354 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.44 HD12 ' CD1' ' A' ' 653' ' ' LEU . 36.5 mt -64.12 -37.41 87.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.844 178.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.499 HG13 ' HZ1' ' A' ' 633' ' ' LYS . 73.7 t -64.23 -43.1 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.763 -177.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -64.34 -39.86 94.72 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.145 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -62.58 -39.93 95.26 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.406 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.52 -48.03 83.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.121 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 90.8 t -61.26 -44.75 98.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 176.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.34 -39.36 72.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.852 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.1 84.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.588 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 25.2 mt -83.85 -32.41 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.743 -175.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -156.73 93.11 2.4 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -176.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . 0.445 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 42.6 Cg_endo -74.54 -32.38 6.2 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 121.95 1.767 . . . . 0.0 113.676 -169.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 23.6 p -81.8 108.68 11.85 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 3.7 Cg_exo -79.6 73.15 6.15 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.128 2.552 . . . . 0.0 111.521 177.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.34 127.82 93.54 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.249 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.44 -26.25 52.72 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.299 2.666 . . . . 0.0 113.861 -175.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.05 -51.99 7.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.187 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -57.77 -28.04 63.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.343 175.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -29.09 69.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.044 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -104.35 15.9 27.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.313 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -90.49 127.0 36.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.067 0.461 . . . . 0.0 109.888 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -56.62 -37.02 70.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.47 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -61.75 -38.97 89.94 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.227 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.419 ' O ' HG22 ' A' ' 629' ' ' VAL . 41.3 ttm -57.39 -37.91 73.42 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.765 175.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -58.21 -39.28 78.62 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . 0.485 ' N ' HD21 ' A' ' 627' ' ' ASN . 0.9 OUTLIER -59.67 -40.18 86.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.337 177.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -38.78 84.13 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.491 177.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.628 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 89.0 t -63.29 -45.19 98.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.599 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.24 93.22 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.639 176.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -58.05 -41.35 83.12 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.08 79.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.844 0.354 . . . . 0.0 110.396 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.649 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 40.3 mmtm -54.88 -51.88 64.57 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.186 175.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -56.22 -47.69 77.93 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.602 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.514 ' O ' ' HG2' ' A' ' 639' ' ' MET . 12.8 t -56.53 -51.12 69.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.467 175.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.649 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.2 OUTLIER -58.65 -39.05 79.48 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.599 -179.553 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.45 -47.6 82.48 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.58 177.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -64.9 -46.49 81.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.675 0.274 . . . . 0.0 110.478 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.7 mmt -55.78 -36.06 66.95 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.912 177.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -52.3 -37.39 55.61 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.649 -176.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.28 -45.26 77.14 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.411 0.624 . . . . 0.0 110.31 176.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' SER . . . . . 0.506 ' C ' ' H ' ' A' ' 644' ' ' ASN . 0.6 OUTLIER -63.44 -35.94 82.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.526 178.407 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.49 23.52 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.028 1.731 . . . . 0.0 115.036 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.506 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.7 t-20 -69.2 -0.46 6.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.835 0.35 . . . . 0.0 110.649 -175.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 27.6 p -148.89 145.46 27.46 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.186 174.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -55.36 -50.92 68.43 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -173.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -61.7 -42.94 99.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.08 -176.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.492 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 44.7 tt0 -61.23 -44.97 96.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.671 -178.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -56.72 -49.8 74.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.357 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.41 ' OH ' HD13 ' A' ' 599' ' ' LEU . 37.3 m-85 -67.39 -39.49 85.61 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 121.005 0.431 . . . . 0.0 110.704 -176.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -65.94 -43.12 88.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.738 -174.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 80.7 mt -62.42 -49.0 77.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.187 -177.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.5 ' O ' HG13 ' A' ' 657' ' ' ILE . 7.7 mt -63.65 -45.79 88.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 178.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.85 99.46 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.558 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -61.07 -40.44 93.68 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.431 ' O ' HG13 ' A' ' 660' ' ' ILE . 57.4 tttp -61.36 -43.89 98.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.096 176.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 653' ' ' LEU . 74.4 mt -62.77 -43.99 99.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 0.0 110.46 -178.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -65.07 -38.89 92.26 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -55.9 -48.55 75.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.049 0.452 . . . . 0.0 110.21 174.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.499 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 86.2 mt -59.76 -49.41 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.775 177.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -59.3 -38.32 79.94 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -62.48 -45.48 92.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.259 177.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -64.62 -38.92 92.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.814 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.599 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 90.8 mt -61.43 -40.92 96.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.161 0.505 . . . . 0.0 110.253 176.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.06 -41.69 86.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.297 0.57 . . . . 0.0 110.026 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -61.28 -41.59 97.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.606 -177.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.599 ' HG2' ' O ' ' A' ' 664' ' ' LEU . 23.1 pttp -60.14 -38.38 82.93 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.602 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -61.82 -29.78 70.39 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 122.047 0.927 . . . . 0.0 111.106 176.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -76.34 -29.29 57.18 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 114.116 -1.402 . . . . 0.0 110.276 -177.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 23.1 t -96.0 -6.25 39.29 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.725 -178.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -63.07 130.1 43.22 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.103 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 90.8 mt . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.809 -0.615 . . . . 0.0 109.599 -177.026 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 . . . . . 0 C--O 1.232 0.151 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -76.75 136.83 39.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.064 0.459 . . . . 0.0 111.699 -174.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 87.52 74.16 1.28 Allowed Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.988 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -103.18 -71.78 0.72 Allowed 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.71 0.29 . . . . 0.0 110.309 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 9.9 mt -95.62 146.59 6.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.6 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.4 130.26 72.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 120.748 0.309 . . . . 0.0 111.488 -175.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -73.39 171.5 17.57 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.866 2.377 . . . . 0.0 112.678 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 16.6 m -55.63 -50.35 70.41 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -168.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.7 -40.73 95.87 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -170.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 25.6 mm -63.84 -41.59 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.279 0.561 . . . . 0.0 109.755 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.502 ' O ' HD21 ' B' ' 854' ' ' LEU . 3.2 mmt -64.03 -39.36 93.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.401 176.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -55.54 -40.03 71.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.619 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -63.4 -49.72 72.67 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.099 0.249 . . . . 0.0 110.879 -177.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.57 -38.87 82.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.486 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . 0.502 HD21 ' O ' ' B' ' 850' ' ' MET . 3.8 mm? -64.06 -40.12 95.57 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.77 0.319 . . . . 0.0 111.247 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -83.7 -48.78 9.79 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -175.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -92.62 128.84 38.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.917 0.389 . . . . 0.0 110.492 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 40.2 m -147.66 106.47 3.75 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.359 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo . . . . . 0 C--O 1.247 0.973 0 C-N-CA 123.265 2.644 . . . . 0.0 112.408 -179.736 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.581 0 CA-C-O 120.393 -0.115 . . . . 0.0 113.074 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 25.2 m 42.19 -170.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.702 1.201 . . . . 0.0 112.867 -174.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 588' ' ' ARG . 0.0 OUTLIER -109.47 -11.0 14.86 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 121.62 -0.675 . . . . 0.0 110.442 175.088 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.541 ' HD3' ' O ' ' A' ' 589' ' ' LYS . 1.8 tmtp? -111.79 93.79 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.739 0.78 . . . . 0.0 109.874 178.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -156.03 62.67 0.34 Allowed Glycine 0 N--CA 1.433 -1.503 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.275 178.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -55.51 4.27 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.563 0.697 . . . . 0.0 109.291 176.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -96.86 5.72 50.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.061 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -50.5 -27.0 5.81 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -170.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -83.36 29.92 0.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.05 0.453 . . . . 0.0 111.425 176.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 72.9 t -134.36 132.83 55.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.831 -0.804 . . . . 0.0 108.831 169.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.447 HG21 ' H ' ' A' ' 599' ' ' LEU . 3.2 t -91.96 156.58 17.34 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.791 0.329 . . . . 0.0 110.83 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -64.37 -38.39 90.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.01 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.53 -38.8 69.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.356 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.507 HD12 ' HH ' ' A' ' 650' ' ' TYR . 15.9 tp -58.09 -49.89 75.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.619 177.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -64.91 -46.67 80.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.461 -178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' SER . . . . . 0.511 ' O ' ' HD2' ' A' ' 605' ' ' HIS . 23.2 p -63.44 -40.47 97.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.268 -175.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -39.42 94.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.018 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.499 HD13 ' CD1' ' A' ' 653' ' ' LEU . 39.7 mt -65.07 -38.0 89.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.755 -178.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.458 HG12 ' HZ1' ' A' ' 633' ' ' LYS . 70.5 t -63.68 -45.71 96.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.886 0.375 . . . . 0.0 110.612 -177.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.511 ' HD2' ' O ' ' A' ' 601' ' ' SER . 69.6 m-70 -62.53 -38.36 89.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.514 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -60.31 -40.65 91.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.743 0.306 . . . . 0.0 110.963 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.25 -41.08 94.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.058 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.458 HG13 HD11 ' A' ' 628' ' ' LEU . 70.2 t -61.55 -44.04 97.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.984 0.421 . . . . 0.0 110.197 174.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.1 -38.82 73.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.685 177.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.61 -39.18 79.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.76 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 23.7 mt -82.79 -35.14 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.355 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -155.55 101.93 2.2 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 -172.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . 0.401 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 62.0 Cg_endo -80.77 -31.9 1.29 Allowed 'Trans proline' 0 CA--C 1.528 0.219 0 C-N-CA 122.087 1.858 . . . . 0.0 112.981 -175.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 22.6 p -81.52 110.8 20.8 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -176.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 2.7 Cg_exo -79.01 77.64 4.02 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.001 2.467 . . . . 0.0 111.619 176.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.43 ' HB3' ' HB2' ' A' ' 619' ' ' ALA . 14.3 t70 -71.11 129.15 89.66 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.892 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.94 -26.56 49.65 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.51 2.807 . . . . 0.0 113.839 -175.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -92.78 -47.06 7.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.937 0.399 . . . . 0.0 110.423 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . 0.43 ' HB2' ' HB3' ' A' ' 616' ' ' ASP . . . -57.58 -28.72 63.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.742 178.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -33.22 71.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.092 0.472 . . . . 0.0 110.732 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -100.94 18.3 19.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.111 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . 0.471 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 16.5 t70 -94.67 130.11 41.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.189 0.518 . . . . 0.0 111.153 -174.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' A' ' 626' ' ' GLU . 26.8 mmt180 -59.98 -38.85 83.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.117 -178.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.58 ' HG3' ' CE2' ' B' ' 852' ' ' PHE . 10.2 ttp180 -57.22 -46.61 82.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.96 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.497 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 41.1 ttm -60.21 -37.79 81.35 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.571 0.224 . . . . 0.0 110.838 175.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 623' ' ' ARG . 14.1 tp10 -54.75 -39.49 68.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.849 -177.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.04 -44.28 91.75 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.312 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 625' ' ' MET . 0.9 OUTLIER -67.76 -38.43 83.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.381 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.491 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 60.1 t -64.43 -40.92 90.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.846 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -58.9 -39.01 80.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.164 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.44 -38.29 90.5 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.33 95.28 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.931 0.396 . . . . 0.0 110.084 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 629' ' ' VAL . 33.0 mmtm -55.71 -50.77 69.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.586 0.707 . . . . 0.0 111.41 172.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -55.22 -42.42 73.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.804 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.558 ' O ' ' HG2' ' A' ' 639' ' ' MET . 20.1 t -55.52 -48.49 77.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 175.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -55.97 -45.4 78.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.618 0.247 . . . . 0.0 110.673 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.05 -49.18 74.02 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.546 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.97 -46.1 86.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.963 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.6 mmt -62.65 -36.02 81.5 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.876 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -50.17 -37.91 37.03 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 123.631 0.582 . . . . 0.0 111.598 -175.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.77 -49.81 64.71 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.135 0.493 . . . . 0.0 110.64 176.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' SER . . . . . 0.525 ' C ' ' H ' ' A' ' 644' ' ' ASN . 4.2 t -64.81 -37.43 87.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.169 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.53 21.09 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.525 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.8 t30 -79.94 17.51 0.96 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.211 0.529 . . . . 0.0 109.834 -176.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 37.4 p -158.92 137.95 11.28 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 172.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -54.45 -50.45 67.66 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -169.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.55 -40.34 96.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.156 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 22.8 tt0 -62.07 -45.68 92.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.356 -178.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -55.96 -49.98 72.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.16 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.507 ' HH ' HD12 ' A' ' 599' ' ' LEU . 40.4 m-85 -65.31 -39.2 92.18 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 120.537 0.208 . . . . 0.0 111.519 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -65.74 -42.8 90.57 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.788 -173.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 67.8 mt -62.55 -50.52 71.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.367 -176.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.499 ' CD1' HD13 ' A' ' 603' ' ' LEU . 9.7 mt -64.7 -47.35 78.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.25 -178.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.79 88.17 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.464 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -62.05 -42.94 99.71 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.369 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -60.29 -40.69 91.36 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.398 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 653' ' ' LEU . 58.9 mt -62.31 -42.97 97.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.282 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.11 -38.14 89.72 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.391 175.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 32.8 mmtp -57.79 -45.58 85.83 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 176.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.562 ' CD1' HD22 ' B' ' 845' ' ' LEU . 0.3 OUTLIER -59.11 -39.9 79.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 175.014 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -65.04 -39.72 93.75 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -65.53 -41.27 93.26 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.426 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 19.6 mm-40 -65.11 -49.31 70.47 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.896 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.19 -40.49 85.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.538 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . 0.703 ' O ' ' HG2' ' A' ' 669' ' ' ARG . 12.8 mm-40 -64.98 -49.61 69.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 174.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -56.2 -46.6 79.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.655 -172.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -39.19 90.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.37 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -72.16 -29.09 63.69 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.69 0.757 . . . . 0.0 111.22 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.703 ' HG2' ' O ' ' A' ' 665' ' ' GLU . 13.8 mmt180 -67.2 -31.6 72.1 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.857 178.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 22.0 t -90.52 3.97 52.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.707 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.89 175.21 0.29 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.031 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.323 -0.846 . . . . 0.0 111.787 -175.366 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 120.834 0.349 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -83.14 67.34 9.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 63.91 75.18 0.38 Allowed Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.722 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -122.33 -115.73 0.31 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.859 0.362 . . . . 0.0 110.738 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 10.9 mt -96.32 151.17 4.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.175 -173.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.562 HD22 ' CD1' ' A' ' 660' ' ' ILE . 5.0 mp -88.7 132.28 39.09 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.398 -176.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -46.1 130.65 13.7 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 124.195 3.263 . . . . 0.0 114.107 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.0 t -55.7 -38.91 70.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.351 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -60.6 -38.95 86.36 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.874 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 34.7 mm -64.64 -38.7 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 120.945 0.403 . . . . 0.0 110.164 176.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.439 ' HA ' ' HE1' ' B' ' 850' ' ' MET . 31.2 mmt -62.41 -42.86 99.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.216 177.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.71 -39.7 94.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.794 171.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . 0.58 ' CE2' ' HG3' ' A' ' 624' ' ' ARG . 0.4 OUTLIER -59.19 -44.99 92.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.922 -174.381 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -64.21 -43.86 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.662 0.268 . . . . 0.0 111.28 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.38 -36.36 83.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.397 176.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -58.0 -27.46 63.53 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.83 0.347 . . . . 0.0 110.833 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -93.01 127.66 38.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.936 0.398 . . . . 0.0 110.058 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 3.1 m -134.37 80.7 51.36 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.994 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo . . . . . 0 C--O 1.25 1.08 0 C-N-CA 122.912 2.408 . . . . 0.0 112.345 -177.709 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 31.0 p80 . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.525 HG13 HD23 ' A' ' 599' ' ' LEU . 87.7 t -136.3 131.91 48.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 170.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.618 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.1 t -89.27 153.43 20.91 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.206 178.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.85 -39.54 81.59 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.85 -40.7 89.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.113 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.618 ' H ' HG23 ' A' ' 596' ' ' THR . 23.6 tp -56.1 -49.93 72.46 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 120.914 0.388 . . . . 0.0 110.495 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -64.0 -48.99 74.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.293 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 15.6 p -64.83 -40.12 94.67 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.552 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -60.38 -49.36 77.88 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.24 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.444 HD13 HD13 ' A' ' 653' ' ' LEU . 89.2 mt -65.56 -38.44 89.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.737 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.444 HG11 ' CD ' ' A' ' 633' ' ' LYS . 37.9 t -63.87 -45.02 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.351 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -64.79 -39.72 94.06 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -57.56 -41.54 81.22 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.574 175.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.63 -49.89 74.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.859 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 89.5 t -58.87 -47.48 89.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.107 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -60.19 -39.43 86.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.19 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.74 -38.94 73.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.13 0.491 . . . . 0.0 110.416 175.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.426 HD11 HD11 ' B' ' 845' ' ' LEU . 33.7 mt -77.0 -31.58 18.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.558 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -155.71 97.57 2.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -175.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -81.06 -33.5 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.43 2.087 . . . . 0.0 113.726 -171.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 19.7 p -75.79 111.56 15.29 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.903 -0.135 . . . . 0.0 111.285 -176.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 4.2 Cg_exo -79.54 88.15 1.47 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.992 2.462 . . . . 0.0 112.129 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.428 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 30.1 t70 -82.35 123.42 79.1 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.754 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.88 -27.41 78.47 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.082 2.521 . . . . 0.0 113.467 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.69 -52.22 6.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.614 0.245 . . . . 0.0 110.406 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 619' ' ' ALA . . . . . 0.428 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.45 -29.16 63.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.593 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.596 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -61.72 -31.98 72.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.348 0.594 . . . . 0.0 110.267 177.684 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -99.03 16.39 22.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.694 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -100.58 136.61 40.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.033 0.444 . . . . 0.0 110.566 -176.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -56.05 -38.07 70.11 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.503 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -61.92 -40.73 96.49 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.736 0.303 . . . . 0.0 110.341 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.596 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 42.7 ttm -63.95 -38.81 92.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.167 175.176 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -63.45 -38.77 92.42 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.574 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -59.81 -40.49 88.57 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.999 0.428 . . . . 0.0 110.141 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -39.73 84.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.714 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 625' ' ' MET . 77.6 t -64.55 -42.14 94.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.156 0.503 . . . . 0.0 109.889 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.43 88.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.185 175.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.81 -38.93 87.08 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.334 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.97 98.4 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.733 0.302 . . . . 0.0 110.546 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.444 ' CD ' HG11 ' A' ' 604' ' ' VAL . 0.0 OUTLIER -64.21 -38.94 92.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.886 0.374 . . . . 0.0 110.83 174.909 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -56.81 -45.51 82.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.152 175.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.63 ' O ' ' HG2' ' A' ' 639' ' ' MET . 7.0 t -54.95 -46.61 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.893 172.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -55.73 -43.18 76.32 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.893 0.377 . . . . 0.0 110.604 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.27 -44.72 96.57 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.793 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.54 -42.15 95.91 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.631 -0.335 . . . . 0.0 111.787 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.63 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.9 mmt -62.95 -37.9 88.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.181 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.406 ' HA ' ' HB3' ' A' ' 643' ' ' ALA . 14.8 t80 -49.77 -37.29 29.23 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -169.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.0 -51.3 59.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.146 0.885 . . . . 0.0 110.754 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 642' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 644' ' ' ASN . 8.3 t -66.01 -39.87 90.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.579 177.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 643' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 645' ' ' SER . . . -57.58 20.17 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' A' ' 642' ' ' SER . 0.2 OUTLIER -75.6 26.65 0.11 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 118.294 0.497 . . . . 0.0 110.605 -177.234 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 645' ' ' SER . . . . . 0.455 ' H ' ' C ' ' A' ' 643' ' ' ALA . 68.6 m -161.09 143.67 12.51 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.358 0.663 . . . . 0.0 109.553 178.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -55.82 -50.8 69.54 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -173.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.0 -43.93 97.8 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 111.03 -176.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -56.01 -49.26 74.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.56 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -58.53 -49.15 78.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.559 -175.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.93 -40.68 91.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 110.415 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -67.06 -41.45 86.41 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.288 -173.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.643 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 63.4 mt -57.08 -52.28 65.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.425 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.444 HD13 HD13 ' A' ' 603' ' ' LEU . 6.6 mt -65.8 -49.72 67.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.504 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.26 95.24 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -57.63 -46.67 83.84 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.019 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.643 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 43.8 mmtm -64.29 -39.88 94.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.519 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 653' ' ' LEU . 72.8 mt -58.91 -45.62 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.748 0.308 . . . . 0.0 110.705 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -64.86 -39.47 93.6 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 3.9 tppp? -58.19 -48.82 79.14 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.647 175.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.44 HD13 ' CD1' ' B' ' 845' ' ' LEU . 88.6 mt -63.47 -41.97 94.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.864 -176.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -65.05 -39.48 93.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.255 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -65.38 -40.61 93.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.48 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 663' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 6.4 mm-40 -57.26 -48.61 78.43 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.234 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.435 HD21 ' SD ' ' B' ' 850' ' ' MET . 82.3 mt -60.24 -49.38 77.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.431 -177.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -65.9 -43.38 88.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 0.0 110.804 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.753 -177.304 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.44 ' CD1' HD13 ' A' ' 660' ' ' ILE . 2.0 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.818 0.342 . . . . 0.0 111.856 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 846' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 845' ' ' LEU . 23.7 Cg_exo -63.89 162.39 29.05 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 123.091 2.527 . . . . 0.0 112.427 177.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 24.3 m -55.02 -49.21 72.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.89 -44.14 86.52 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -172.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 23.9 mm -65.16 -41.76 92.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.388 0.613 . . . . 0.0 110.013 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.492 ' HA ' ' HE2' ' B' ' 850' ' ' MET . 2.6 mmt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.112 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.43 HG13 HD23 ' A' ' 599' ' ' LEU . 97.4 t -138.98 133.83 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.628 HG23 ' H ' ' A' ' 599' ' ' LEU . 5.4 t -87.4 147.61 25.37 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 176.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -60.03 -38.37 82.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.421 0.629 . . . . 0.0 109.946 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -57.43 -39.74 76.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.901 177.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.628 ' H ' HG23 ' A' ' 596' ' ' THR . 17.8 tp -57.85 -50.36 73.56 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.861 0.362 . . . . 0.0 110.837 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.492 ' HD2' ' OE2' ' A' ' 636' ' ' GLU . 48.6 mtm180 -64.19 -48.14 77.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.079 -177.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 15.4 p -64.75 -40.02 94.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.632 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 602' ' ' HIS . . . . . 0.447 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 16.0 t-80 -57.53 -48.75 78.44 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.536 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 653' ' ' LEU . 30.7 mt -63.79 -37.63 88.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.189 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 608' ' ' VAL . 39.3 t -58.5 -47.67 87.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.519 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -64.95 -38.51 91.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.925 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 602' ' ' HIS . 28.0 mtpp -59.69 -40.49 88.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.983 0.42 . . . . 0.0 110.449 176.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 9.8 tt -63.54 -46.49 85.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.813 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.452 HG13 HD11 ' A' ' 628' ' ' LEU . 95.4 t -56.51 -43.76 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.972 172.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.23 -39.01 81.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.664 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.75 -39.76 92.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 28.2 mt -78.63 -33.44 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.541 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -147.14 88.95 5.69 Favored Pre-proline 0 N--CA 1.451 -0.422 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -173.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -74.59 -35.05 3.85 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 121.855 1.703 . . . . 0.0 112.939 -173.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 25.5 p -64.68 112.71 8.53 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.32 73.08 6.19 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.102 2.535 . . . . 0.0 111.591 177.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.436 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 26.8 t70 -90.13 126.48 56.89 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -57.74 -34.02 97.61 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.021 2.48 . . . . 0.0 113.251 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.49 -45.63 25.0 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.075 -0.391 . . . . 0.0 110.357 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 619' ' ' ALA . . . . . 0.436 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.05 -33.01 66.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.336 176.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.455 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -61.17 -33.85 74.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.148 0.499 . . . . 0.0 110.798 177.227 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -103.38 18.12 22.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.795 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 622' ' ' ASP . . . . . 0.631 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 15.0 t0 -99.55 134.42 42.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.052 -175.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -54.91 -37.51 66.46 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.86 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.631 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 11.1 ttp180 -53.6 -49.19 68.32 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.087 0.242 . . . . 0.0 111.035 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.623 ' O ' HG23 ' A' ' 629' ' ' VAL . 50.3 ttm -64.95 -40.61 95.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.65 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.43 -39.17 93.32 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.598 0.237 . . . . 0.0 110.825 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -60.07 -47.13 87.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.747 177.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.2 pp -68.14 -37.75 81.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.382 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 625' ' ' MET . 97.8 t -64.54 -39.54 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 121.181 0.515 . . . . 0.0 110.079 177.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -55.88 -38.16 69.8 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.625 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -64.89 -37.35 87.33 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.501 ' O ' ' HB ' ' A' ' 635' ' ' VAL . . . -61.9 -39.79 93.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.943 0.402 . . . . 0.0 110.169 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -39.99 94.71 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.892 174.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 634' ' ' LYS . 13.2 tmtt? -57.69 -40.84 80.37 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.658 ' O ' ' HG2' ' A' ' 639' ' ' MET . 23.5 t -54.96 -50.46 62.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.619 175.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.492 ' OE2' ' HD2' ' A' ' 600' ' ' ARG . 10.8 tp10 -59.03 -48.57 81.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.726 0.298 . . . . 0.0 110.94 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.4 -45.38 96.3 Favored Glycine 0 C--N 1.328 0.12 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.355 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.22 -49.42 72.02 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 122.556 0.343 . . . . 0.0 111.485 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.658 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.8 mmt -59.38 -37.27 77.54 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.985 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.481 ' HA ' ' HB3' ' A' ' 643' ' ' ALA . 19.7 t80 -48.39 -36.26 14.31 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -170.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.81 -51.09 64.03 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 119.668 -0.813 . . . . 0.0 110.671 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 642' ' ' SER . . . . . 0.465 ' C ' ' H ' ' A' ' 644' ' ' ASN . 21.9 t -67.31 -40.17 85.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.126 176.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 643' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 640' ' ' TYR . . . -56.62 20.48 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.465 ' H ' ' C ' ' A' ' 642' ' ' SER . 36.6 t30 -69.68 -0.97 7.77 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 118.097 0.408 . . . . 0.0 110.495 -177.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 44.5 p -135.81 147.75 48.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.638 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -55.4 -50.04 70.78 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.49 -43.36 99.01 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.016 -176.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 6.7 tp10 -58.69 -48.09 82.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.19 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -55.61 -49.2 73.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.913 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -66.82 -40.47 88.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.144 0.497 . . . . 0.0 110.865 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -43.9 86.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.708 -173.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.514 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 93.4 mt -58.86 -49.33 78.15 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.027 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 603' ' ' LEU . 15.5 mt -64.7 -47.8 77.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.548 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.03 -49.09 74.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.693 0.283 . . . . 0.0 111.637 -176.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -60.94 -46.28 91.33 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.352 0.596 . . . . 0.0 110.031 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.62 ' HG3' HD11 ' B' ' 845' ' ' LEU . 0.1 OUTLIER -64.66 -44.78 89.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.937 -172.622 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.28 -41.19 91.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.772 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.49 -38.07 88.67 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.25 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -57.43 -46.39 83.61 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.88 0.371 . . . . 0.0 110.828 177.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.796 HG13 HD13 ' B' ' 845' ' ' LEU . 0.8 OUTLIER -61.11 -37.91 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.91 177.315 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -64.62 -38.59 91.52 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -39.41 93.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.132 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -59.96 -40.81 90.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.85 174.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 63.1 mt -57.4 -43.18 83.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.954 0.407 . . . . 0.0 109.981 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -61.5 -48.5 80.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.482 176.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.795 -174.734 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.796 HD13 HG13 ' A' ' 660' ' ' ILE . 3.7 mp . . . . . 0 C--O 1.233 0.211 0 CA-C-O 119.868 -0.11 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -30.9 117.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 124.971 3.781 . . . . 0.0 114.511 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.9 m -55.42 -39.61 70.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.315 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -56.06 -44.56 79.0 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.365 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 26.9 mm -64.28 -42.13 94.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.039 0.447 . . . . 0.0 110.115 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.496 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.47 0.549 0 CA-C-O 120.973 0.416 . . . . 0.0 111.923 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.537 HG13 HD23 ' A' ' 599' ' ' LEU . 9.4 t -134.27 131.08 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 168.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.586 HG23 ' H ' ' A' ' 599' ' ' LEU . 5.4 t -88.72 154.83 19.98 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.234 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -64.26 -39.97 95.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.968 0.413 . . . . 0.0 109.943 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -55.89 -40.68 73.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.884 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.586 ' H ' HG23 ' A' ' 596' ' ' THR . 16.6 tp -56.28 -48.1 77.29 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.243 0.544 . . . . 0.0 110.273 177.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -64.41 -49.75 70.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.666 -174.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 8.8 p -66.08 -39.38 89.99 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.04 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -59.05 -45.92 89.55 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.034 0.445 . . . . 0.0 110.092 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.481 HD13 ' CD1' ' A' ' 653' ' ' LEU . 67.7 mt -63.85 -37.99 89.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.668 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.85 -42.2 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.889 0.376 . . . . 0.0 110.518 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -63.79 -38.91 92.86 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.17 -41.02 91.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.77 0.319 . . . . 0.0 110.851 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.54 -43.78 92.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.211 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.522 HG13 HD11 ' A' ' 628' ' ' LEU . 91.4 t -61.65 -43.98 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.102 0.477 . . . . 0.0 110.601 175.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -60.64 -38.63 85.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.897 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.8 83.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.654 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 23.2 mt -77.25 -31.54 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.684 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -150.28 99.81 3.21 Favored Pre-proline 0 C--N 1.326 -0.437 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.31 -174.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -79.6 -34.97 0.88 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.005 1.804 . . . . 0.0 113.294 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 7.5 p -81.11 112.0 28.97 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 5.6 Cg_exo -82.55 77.1 3.84 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.118 2.545 . . . . 0.0 111.787 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.45 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 30.1 t70 -74.15 126.53 89.08 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.838 177.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.88 -27.38 72.13 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.15 2.567 . . . . 0.0 113.7 -175.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -86.64 -50.07 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 619' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -56.9 -27.75 61.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.403 175.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.414 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -62.6 -30.36 71.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.753 178.543 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -101.97 16.28 26.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.705 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -99.73 136.84 39.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.26 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.81 -36.93 65.48 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.965 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -53.89 -46.97 71.53 Favored 'General case' 0 C--O 1.233 0.185 0 O-C-N 123.07 0.232 . . . . 0.0 110.969 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.574 ' O ' HG23 ' A' ' 629' ' ' VAL . 51.0 ttm -65.1 -40.46 94.59 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.644 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.39 -38.93 91.48 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.749 0.309 . . . . 0.0 110.704 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -60.49 -44.68 95.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 177.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.0 OUTLIER -67.33 -37.74 83.8 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 178.411 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 625' ' ' MET . 80.9 t -63.04 -40.08 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.961 0.41 . . . . 0.0 110.069 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.471 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -55.92 -39.34 71.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.083 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 631' ' ' TYR . . . . . 0.45 ' HE2' HD23 ' B' ' 845' ' ' LEU . 27.4 t80 -63.52 -36.93 85.39 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.383 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.89 -40.62 85.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.803 0.335 . . . . 0.0 110.321 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -40.37 94.96 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.892 175.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 75.3 mmtt -59.05 -41.61 88.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.258 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.68 ' O ' ' HG2' ' A' ' 639' ' ' MET . 11.5 t -54.78 -50.15 63.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.731 172.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -56.08 -44.15 78.68 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.54 -48.7 74.59 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.609 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.45 -46.74 84.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.76 0.28 . . . . 0.0 111.529 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.68 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.9 mmt -64.05 -37.72 88.47 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.002 -177.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -48.88 -38.05 21.45 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.122 0.889 . . . . 0.0 113.099 -167.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.33 -51.42 57.49 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.685 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 642' ' ' SER . . . . . 0.464 ' C ' ' H ' ' A' ' 644' ' ' ASN . 23.3 t -66.49 -38.86 88.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.299 177.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.29 20.51 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.464 ' H ' ' C ' ' A' ' 642' ' ' SER . 1.9 t30 -87.89 23.13 2.12 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 49.3 m -150.82 133.16 15.48 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.071 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -55.33 -51.63 66.13 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -170.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.37 -40.53 97.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.999 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.2 tp10 -59.13 -49.36 78.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.148 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -55.86 -48.67 75.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.158 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -63.61 -41.72 98.28 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 120.752 0.31 . . . . 0.0 111.567 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -66.2 -45.07 82.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.449 -172.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.663 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 80.7 mt -57.24 -50.01 74.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.044 -177.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.481 ' CD1' HD13 ' A' ' 603' ' ' LEU . 7.2 mt -64.94 -48.25 74.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.749 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.96 -45.22 78.93 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 123.107 0.254 . . . . 0.0 111.468 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -57.12 -45.7 83.23 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.703 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 46.6 mmtm -66.12 -41.59 90.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.549 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.13 -49.97 82.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 0.0 110.649 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -64.91 -37.78 88.77 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 0.7 OUTLIER -57.67 -49.3 76.95 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.816 0.341 . . . . 0.0 110.817 179.173 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.709 HG13 HD13 ' B' ' 845' ' ' LEU . 1.0 OUTLIER -62.44 -38.93 82.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 177.689 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -64.23 -38.09 89.81 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.183 0.516 . . . . 0.0 109.721 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -63.99 -40.62 96.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.026 177.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 663' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 25.1 mm-40 -63.91 -44.32 93.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.832 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 71.9 mt -55.62 -48.53 74.77 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.0 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.94 -40.39 96.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.714 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.189 -176.526 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.709 HD13 HG13 ' A' ' 660' ' ' ILE . 2.8 mp . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -46.37 126.02 9.65 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 124.105 3.204 . . . . 0.0 114.175 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 9.4 p -54.75 -35.98 64.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.412 -1.267 . . . . 0.0 111.11 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -52.92 -45.45 67.6 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.527 -175.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 37.3 mm -65.49 -39.72 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.509 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.208 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 . . . . . 0 N--CA 1.472 0.651 0 CA-C-O 121.396 0.617 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.41 HG13 HD23 ' A' ' 599' ' ' LEU . 55.3 t -136.98 134.1 47.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.394 172.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.561 HG23 ' H ' ' A' ' 599' ' ' LEU . 4.2 t -94.55 151.57 19.23 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.218 -177.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.415 ' OE1' ' HA ' ' A' ' 597' ' ' GLN . 7.0 tp60 -56.39 -40.46 74.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.28 0.562 . . . . 0.0 110.3 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.56 -39.0 79.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.628 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.601 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 17.8 tp -55.27 -51.77 65.58 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-O 120.613 0.244 . . . . 0.0 111.239 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 604' ' ' VAL . 78.9 mtm180 -58.86 -50.68 73.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.983 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 6.1 p -64.25 -38.59 91.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.846 0.355 . . . . 0.0 110.939 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -57.7 -49.25 77.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.171 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 33.4 mt -64.06 -40.11 95.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.506 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 600' ' ' ARG . 71.6 t -57.9 -49.31 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.565 0.221 . . . . 0.0 110.643 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -60.83 -39.6 89.64 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.961 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.11 -40.95 97.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.976 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.91 -45.26 86.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.539 HG13 HD11 ' A' ' 628' ' ' LEU . 54.4 t -55.88 -44.28 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.468 173.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.23 -39.83 80.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.34 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.461 ' HB1' HG21 ' A' ' 660' ' ' ILE . . . -62.61 -43.64 98.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.841 0.353 . . . . 0.0 110.811 178.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 43.8 mt -70.98 -33.15 50.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.953 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -156.73 91.99 2.47 Favored Pre-proline 0 CA--C 1.534 0.333 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -172.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -80.04 -9.2 14.23 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.676 2.251 . . . . 0.0 113.949 -171.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 28.5 p -99.38 109.73 55.86 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.032 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -75.44 55.32 4.14 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 123.131 2.554 . . . . 0.0 112.223 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.64 123.29 84.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.894 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -57.97 -40.05 81.05 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.25 2.633 . . . . 0.0 113.675 -173.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -68.4 -41.46 80.42 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.22 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.77 87.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.471 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.541 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -48.39 -32.64 7.89 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.59 170.469 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -97.93 16.73 20.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.668 0.27 . . . . 0.0 111.545 -177.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -94.69 137.3 33.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.014 0.435 . . . . 0.0 110.579 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -60.96 -35.89 77.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.154 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -61.47 -38.86 88.78 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.207 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.541 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 45.4 ttm -58.9 -37.87 77.6 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.926 175.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.51 -40.23 82.28 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -63.25 -43.52 97.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.891 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.539 HD11 HG13 ' A' ' 608' ' ' VAL . 0.6 OUTLIER -67.48 -39.72 85.26 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.614 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 625' ' ' MET . 92.1 t -59.65 -42.72 89.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.321 176.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.85 90.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.934 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -64.47 -41.24 96.61 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.604 0.24 . . . . 0.0 110.547 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.77 96.58 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.658 0.266 . . . . 0.0 110.584 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -60.96 -40.27 92.71 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.242 175.33 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -59.36 -41.48 89.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.109 0.48 . . . . 0.0 110.111 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.569 ' O ' ' HG2' ' A' ' 639' ' ' MET . 38.8 t -60.89 -49.98 82.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.323 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.586 ' O ' ' HB2' ' A' ' 640' ' ' TYR . 2.8 pt-20 -54.74 -38.67 67.44 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.04 -50.76 56.07 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.092 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.5 -46.29 83.61 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.989 0.423 . . . . 0.0 111.054 -177.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.571 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 17.3 mmt -62.56 -35.78 80.56 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.928 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.586 ' HB2' ' O ' ' A' ' 636' ' ' GLU . 6.2 t80 -47.89 -38.19 15.83 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.505 1.128 . . . . 0.0 112.437 -173.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -66.44 -50.32 63.77 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.638 0.654 . . . . 0.0 111.083 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 642' ' ' SER . . . . . 0.474 ' C ' ' H ' ' A' ' 644' ' ' ASN . 16.1 m -65.88 -38.62 89.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.569 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -48.1 20.62 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.474 ' H ' ' C ' ' A' ' 642' ' ' SER . 66.3 t30 -69.56 -5.09 22.07 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.635 -0.666 . . . . 0.0 110.181 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 18.6 m -139.16 141.98 38.0 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -49.15 73.55 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.061 0.226 . . . . 0.0 111.332 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -60.73 -42.3 97.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.971 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -60.33 -48.24 82.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.612 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.06 -48.74 77.82 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.534 -176.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -65.6 -37.23 86.04 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.584 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -63.78 -49.12 74.19 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.956 0.408 . . . . 0.0 110.191 -175.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.571 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 76.7 mt -58.07 -49.77 75.77 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.427 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' ' 657' ' ' ILE . 8.3 mt -65.73 -48.21 72.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.727 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.18 85.09 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -57.13 -47.91 79.97 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.413 177.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.401 ' HE3' ' CG2' ' A' ' 635' ' ' VAL . 23.1 ttmm -59.25 -40.65 86.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.798 178.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 653' ' ' LEU . 63.3 mt -65.82 -43.25 93.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.763 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -65.31 -38.58 90.63 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.036 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 663' ' ' GLU . 73.6 mmtt -57.37 -40.32 77.9 Favored 'General case' 0 CA--C 1.524 -0.043 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.78 175.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.699 HG13 HD13 ' B' ' 845' ' ' LEU . 0.1 OUTLIER -56.22 -38.58 55.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.378 173.783 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -67.31 -39.67 85.94 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.482 0.658 . . . . 0.0 109.315 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 662' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' A' ' 666' ' ' GLU . 28.8 tptp -65.36 -43.68 90.04 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.74 178.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 663' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 659' ' ' LYS . 31.1 mt-10 -64.69 -45.61 85.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.387 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 96.1 mt -55.51 -40.18 71.43 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.084 0.469 . . . . 0.0 109.805 176.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.56 -49.49 76.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.852 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 666' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 662' ' ' LYS . 62.9 mm-40 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.014 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.699 HD13 HG13 ' A' ' 660' ' ' ILE . 5.8 mp . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.512 0.196 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.89 127.7 17.45 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.082 1.855 . . . . 0.0 111.424 172.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 50.7 m -54.76 -37.93 66.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.635 -176.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -56.77 -39.72 74.56 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.488 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.79 -40.3 88.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.435 0.636 . . . . 0.0 109.438 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 32.3 mmt . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.661 176.719 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 . . . . . 0 N--CA 1.472 0.661 0 N-CA-C 111.552 0.205 . . . . 0.0 111.552 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 38.9 t -143.53 135.21 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 122.255 0.222 . . . . 0.0 110.541 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.548 HG23 ' H ' ' A' ' 599' ' ' LEU . 8.0 t -94.08 165.24 12.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.649 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -64.16 -44.64 91.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.929 0.395 . . . . 0.0 110.456 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.36 -40.13 77.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.365 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.548 ' H ' HG23 ' A' ' 596' ' ' THR . 18.6 tp -55.63 -49.95 71.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.975 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.504 ' O ' HG23 ' A' ' 604' ' ' VAL . 36.6 mtm180 -62.01 -49.52 75.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.237 -176.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 9.8 p -65.3 -39.84 93.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.986 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -60.54 -45.88 92.25 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.527 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 56.2 mt -61.42 -37.54 83.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.233 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 600' ' ' ARG . 76.7 t -59.26 -41.34 83.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -64.29 -38.69 91.94 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -58.12 -42.08 85.0 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.689 176.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 8.8 tt -65.55 -50.04 66.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.29 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.402 HG13 HD11 ' A' ' 628' ' ' LEU . 99.5 t -56.12 -41.59 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.041 175.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -55.91 -40.01 72.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.744 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.74 93.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.62 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.4 mt -82.63 -30.66 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.641 0.258 . . . . 0.0 110.596 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -155.09 91.22 2.92 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.33 . . . . 0.0 110.362 -174.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -80.67 -35.21 0.58 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.153 1.902 . . . . 0.0 112.602 -176.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 22.9 p -62.27 114.13 10.82 Favored Pre-proline 0 C--N 1.33 -0.269 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.9 Cg_exo -79.52 75.14 5.21 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.072 2.515 . . . . 0.0 111.465 176.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.456 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 16.9 t70 -82.18 121.82 79.01 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.609 176.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.6 -25.77 79.96 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.144 2.562 . . . . 0.0 113.159 -175.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.19 -48.06 10.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.751 0.31 . . . . 0.0 110.18 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 619' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -58.71 -30.47 67.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.384 175.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -32.46 71.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.19 0.519 . . . . 0.0 110.024 177.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -100.15 16.85 22.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.18 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 622' ' ' ASP . . . . . 0.4 ' OD2' ' HB2' ' A' ' 624' ' ' ARG . 29.8 t70 -95.02 127.55 41.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.06 0.457 . . . . 0.0 110.497 -177.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -55.8 -37.31 68.46 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.911 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.4 ' HB2' ' OD2' ' A' ' 622' ' ' ASP . 2.1 mmp_? -64.13 -37.71 88.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.128 -0.229 . . . . 0.0 111.258 -177.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.4 ' O ' HG23 ' A' ' 629' ' ' VAL . 39.3 ttm -55.19 -38.02 67.82 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.642 176.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -56.36 -38.45 71.43 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.972 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -60.41 -44.21 95.94 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.989 0.423 . . . . 0.0 110.357 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.408 ' HG ' ' N ' ' A' ' 629' ' ' VAL . 0.1 OUTLIER -66.78 -40.76 88.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.621 -178.172 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.408 ' N ' ' HG ' ' A' ' 628' ' ' LEU . 52.1 t -65.77 -42.13 91.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 121.319 0.58 . . . . 0.0 110.075 178.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.25 92.75 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.836 177.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 631' ' ' TYR . . . . . 0.401 ' O ' ' HB2' ' A' ' 634' ' ' LYS . 51.5 t80 -63.97 -38.14 90.0 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 176.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.64 77.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.274 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -39.93 92.54 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.106 174.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 631' ' ' TYR . 14.0 mptt -57.03 -46.85 82.07 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.737 0.303 . . . . 0.0 110.455 176.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.716 ' O ' ' HG2' ' A' ' 639' ' ' MET . 9.8 t -54.94 -50.34 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.779 175.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -57.02 -41.51 78.68 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.786 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.82 -47.77 79.41 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.727 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.46 -44.0 96.32 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.902 0.382 . . . . 0.0 111.301 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.716 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.6 mmt -57.61 -35.89 71.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.665 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -50.82 -35.41 32.13 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.293 -0.867 . . . . 0.0 113.205 -171.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.6 -50.85 69.65 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.953 0.797 . . . . 0.0 109.927 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 642' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 644' ' ' ASN . 14.9 m -65.15 -37.57 87.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.578 177.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -54.6 20.52 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.496 ' H ' ' C ' ' A' ' 642' ' ' SER . 66.4 t30 -68.31 -1.87 7.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.01 0.433 . . . . 0.0 110.092 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 55.6 p -142.0 145.2 34.17 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.986 175.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -55.46 -49.77 71.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.765 0.316 . . . . 0.0 111.652 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.66 -41.18 97.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.623 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.613 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 6.4 tp10 -59.96 -45.17 93.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.852 0.358 . . . . 0.0 110.266 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.64 -49.61 72.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.247 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -65.34 -38.77 91.13 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 122.517 0.327 . . . . 0.0 111.839 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -65.65 -42.85 90.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.858 0.361 . . . . 0.0 110.774 -176.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 63.6 mt -60.97 -50.48 73.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.95 -177.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.483 ' O ' HG13 ' A' ' 657' ' ' ILE . 9.1 mt -62.3 -45.58 92.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.912 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.86 -47.76 79.65 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.827 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -59.69 -46.99 87.39 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 29.8 mmtp -64.76 -38.67 91.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.077 -176.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 653' ' ' LEU . 83.4 mt -60.18 -43.2 92.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 176.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -64.44 -38.03 89.61 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -57.54 -47.39 82.14 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.943 0.401 . . . . 0.0 110.114 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.429 HG13 HD13 ' B' ' 845' ' ' LEU . 0.5 OUTLIER -63.83 -39.17 84.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.383 178.425 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -65.57 -40.09 92.39 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.215 0.531 . . . . 0.0 109.655 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -65.63 -39.64 91.69 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.043 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -56.62 -49.31 75.35 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.038 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.77 -42.41 97.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.328 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.3 -50.26 68.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.765 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.872 -176.319 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.429 HD13 HG13 ' A' ' 660' ' ' ILE . 5.5 mp . . . . . 0 C--O 1.234 0.265 0 CA-C-O 120.558 0.218 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 846' ' ' PRO . . . . . 0.413 ' O ' ' HG2' ' B' ' 850' ' ' MET . 68.2 Cg_exo -42.61 130.27 5.23 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 124.562 3.508 . . . . 0.0 114.493 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 34.2 m -60.92 -39.43 89.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.583 -1.19 . . . . 0.0 111.502 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -62.76 -40.27 96.74 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.446 -174.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 33.3 mm -63.47 -43.46 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' B' ' 846' ' ' PRO . 26.1 mmm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.992 175.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.3 p80 . . . . . 0 N--CA 1.467 0.408 0 CA-C-O 121.196 0.522 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.617 HG13 HD23 ' A' ' 599' ' ' LEU . 12.7 t -134.72 131.91 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 168.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.634 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.7 t -88.37 154.13 20.63 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.322 177.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -63.01 -38.97 93.34 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -57.71 -39.94 78.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.895 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.634 ' H ' HG23 ' A' ' 596' ' ' THR . 16.9 tp -56.38 -47.47 78.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.262 0.553 . . . . 0.0 110.003 177.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.4 ' O ' HG23 ' A' ' 604' ' ' VAL . 78.8 mtt180 -64.92 -48.01 75.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.75 -177.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.9 p -64.33 -38.64 91.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.503 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -55.64 -45.59 77.6 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.668 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 653' ' ' LEU . 26.4 mt -64.6 -38.47 91.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.108 178.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 600' ' ' ARG . 55.4 t -64.13 -42.7 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.322 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -61.62 -40.31 94.4 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.321 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -64.16 -39.12 93.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.65 -43.54 93.3 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.633 HG13 HD11 ' A' ' 628' ' ' LEU . 73.4 t -59.08 -46.23 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.495 0.664 . . . . 0.0 109.943 174.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.45 -38.07 76.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.972 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.19 88.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.005 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 29.2 mt -78.44 -34.96 18.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -156.98 102.52 1.93 Allowed Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -175.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -77.47 -33.42 2.44 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.018 1.812 . . . . 0.0 113.14 -171.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 23.4 p -77.37 112.41 23.53 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.584 0.23 . . . . 0.0 111.579 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.9 Cg_exo -77.61 74.94 4.95 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.976 2.451 . . . . 0.0 111.194 176.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.512 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 18.1 t70 -70.62 124.56 91.12 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.023 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.414 ' O ' ' HE2' ' A' ' 621' ' ' LYS . 13.0 Cg_endo -57.46 -30.96 90.0 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.261 2.64 . . . . 0.0 113.237 -175.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.4 -48.04 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 619' ' ' ALA . . . . . 0.512 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.44 -28.61 63.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.238 175.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.505 HD22 ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -61.07 -31.07 70.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.303 0.573 . . . . 0.0 109.636 178.318 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 621' ' ' LYS . . . . . 0.414 ' HE2' ' O ' ' A' ' 617' ' ' PRO . 46.9 mtmt -104.16 14.84 29.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.076 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -100.33 141.26 33.43 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 623' ' ' ARG . . . . . 0.542 ' HD3' ' OE2' ' A' ' 626' ' ' GLU . 27.6 mmt180 -55.53 -36.44 66.75 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.968 177.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -53.97 -49.98 67.54 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.466 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.533 ' O ' HG23 ' A' ' 629' ' ' VAL . 52.4 ttm -66.11 -39.05 89.63 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.001 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 626' ' ' GLU . . . . . 0.542 ' OE2' ' HD3' ' A' ' 623' ' ' ARG . 40.3 mt-10 -60.74 -40.55 92.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.585 0.231 . . . . 0.0 111.129 -175.073 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -62.51 -42.78 99.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.21 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.633 HD11 HG13 ' A' ' 608' ' ' VAL . 1.1 pp -67.61 -38.03 83.38 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 625' ' ' MET . 74.5 t -64.77 -41.52 92.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 121.304 0.574 . . . . 0.0 109.989 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -61.84 -38.38 87.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.842 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -63.23 -38.18 90.17 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.4 96.77 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.447 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -39.46 94.26 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.761 0.315 . . . . 0.0 110.905 174.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -56.49 -46.86 80.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.755 176.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.582 ' O ' ' HG2' ' A' ' 639' ' ' MET . 4.6 t -54.93 -47.11 76.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.23 173.143 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -56.03 -40.73 73.89 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.87 -50.01 66.93 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.98 -44.78 91.68 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.787 0.327 . . . . 0.0 111.336 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.6 mmt -64.65 -38.48 91.15 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.525 -178.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -52.97 -39.98 63.38 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.439 0.462 . . . . 0.0 111.352 -175.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -67.22 -46.81 72.69 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.387 0.613 . . . . 0.0 110.416 176.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 642' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 644' ' ' ASN . 9.3 m -64.11 -36.33 83.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.134 -0.939 . . . . 0.0 112.023 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.35 22.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 642' ' ' SER . 66.7 t30 -70.13 -2.25 12.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.074 0.464 . . . . 0.0 110.177 -176.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 38.2 p -145.95 140.6 27.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.922 174.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -54.81 -50.35 68.77 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -175.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.72 -40.42 87.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.226 -176.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -64.17 -46.62 83.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.783 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -55.38 -49.26 72.79 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.766 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -65.59 -40.07 92.29 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -66.98 -41.08 87.39 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.819 -174.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.537 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 80.8 mt -60.67 -49.83 75.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.048 -178.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 603' ' ' LEU . 11.5 mt -64.67 -44.04 91.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.153 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.13 -43.87 78.64 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -61.3 -40.81 95.53 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.339 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 0.2 OUTLIER -63.32 -45.49 91.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.043 -179.172 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.459 ' O ' ' HG3' ' A' ' 661' ' ' GLN . 65.5 mt -64.69 -43.57 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.778 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -64.53 -38.32 90.61 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.494 ' O ' ' HG3' ' A' ' 662' ' ' LYS . 1.7 tppp? -58.58 -44.95 89.94 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.014 0.435 . . . . 0.0 110.073 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.558 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 0.2 OUTLIER -65.21 -38.6 83.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.485 176.026 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 661' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 93.0 mt-30 -65.31 -41.58 93.91 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.667 -174.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 662' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 659' ' ' LYS . 0.0 OUTLIER -65.71 -36.66 84.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.332 176.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.93 -46.79 87.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.043 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 88.7 mt -55.47 -48.76 74.02 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 123.123 0.264 . . . . 0.0 111.302 -175.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -65.62 -38.16 88.63 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.639 0.257 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.527 178.7 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.465 HD22 ' CD1' ' A' ' 660' ' ' ILE . 5.4 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 846' ' ' PRO . . . . . 0.44 ' HG2' HG12 ' B' ' 849' ' ' ILE . 30.3 Cg_endo -62.71 154.66 64.14 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 123.877 3.052 . . . . 0.0 114.951 -167.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 847' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' B' ' 850' ' ' MET . 19.8 m -55.07 -37.02 66.22 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 113.587 -1.642 . . . . 0.0 111.537 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -54.69 -48.98 71.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.45 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 849' ' ' ILE . . . . . 0.44 HG12 ' HG2' ' B' ' 846' ' ' PRO . 33.2 mm -65.66 -38.31 82.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.28 177.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.425 ' HB2' ' O ' ' B' ' 847' ' ' SER . 3.8 mmt . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.335 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 29.4 p80 . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 120.97 0.414 . . . . 0.0 111.495 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.463 HG13 HD23 ' A' ' 599' ' ' LEU . 53.7 t -133.97 132.85 56.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 170.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.509 HG23 ' H ' ' A' ' 599' ' ' LEU . 1.8 t -94.39 163.85 13.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.565 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -63.65 -40.26 96.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.388 0.613 . . . . 0.0 109.643 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.65 -38.39 78.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.098 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.529 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 18.8 tp -54.38 -49.66 69.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.083 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.537 ' HD3' ' CD1' ' A' ' 640' ' ' TYR . 38.9 mtm180 -65.41 -43.86 89.25 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 52.7 p -64.57 -39.27 93.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.258 0.551 . . . . 0.0 110.092 -178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -56.02 -49.1 74.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.238 176.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 76.2 mt -62.87 -38.58 91.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.04 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.3 -40.76 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.979 0.419 . . . . 0.0 110.634 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -62.42 -37.72 86.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.285 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -55.81 -44.67 78.06 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.98 -43.64 91.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.23 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.544 HG13 HD11 ' A' ' 628' ' ' LEU . 90.0 t -64.02 -43.35 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 177.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 609' ' ' GLN . . . . . 0.514 ' OE1' ' HA ' ' A' ' 613' ' ' PRO . 5.9 tp-100 -60.93 -40.48 93.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.271 -179.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.74 83.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.15 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 33.5 mt -76.24 -34.6 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.976 -174.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -156.69 95.34 2.24 Favored Pre-proline 0 C--N 1.33 -0.263 0 O-C-N 122.101 -0.374 . . . . 0.0 110.048 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 613' ' ' PRO . . . . . 0.514 ' HA ' ' OE1' ' A' ' 609' ' ' GLN . 55.3 Cg_endo -78.26 -30.03 3.64 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.157 1.905 . . . . 0.0 113.262 -173.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 25.6 p -75.23 111.75 15.27 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.0 Cg_exo -79.31 73.61 5.94 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.078 2.519 . . . . 0.0 111.503 177.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.442 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 18.2 t70 -70.09 127.86 92.01 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.837 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -56.09 -26.39 59.52 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.222 2.614 . . . . 0.0 113.366 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -86.32 -46.81 9.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.814 0.34 . . . . 0.0 110.163 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 619' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -59.42 -31.48 69.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.679 176.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -27.73 67.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.285 0.564 . . . . 0.0 110.239 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -99.75 16.1 24.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.343 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 622' ' ' ASP . . . . . 0.624 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 17.9 t70 -99.92 134.17 43.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.326 -175.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -63.3 -38.67 92.07 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.278 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.624 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 35.7 ttm180 -57.86 -39.96 79.02 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.865 -0.152 . . . . 0.0 111.054 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.52 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 41.5 ttm -58.49 -39.0 78.8 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.124 176.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.46 -38.11 79.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.624 0.249 . . . . 0.0 110.948 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -59.48 -41.8 90.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.443 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.544 HD11 HG13 ' A' ' 608' ' ' VAL . 0.9 OUTLIER -66.73 -38.93 87.65 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.557 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.56 -43.07 96.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.34 0.59 . . . . 0.0 109.974 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 634' ' ' LYS . . . -59.37 -39.4 83.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.332 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -61.15 -38.77 87.62 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.32 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.28 86.75 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.725 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.669 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -63.96 -40.34 96.2 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.748 0.308 . . . . 0.0 111.387 175.826 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 630' ' ' ALA . 64.5 mttm -59.13 -45.9 89.74 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.547 ' O ' ' HG2' ' A' ' 639' ' ' MET . 11.1 t -57.68 -51.59 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.689 174.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.669 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.2 OUTLIER -56.48 -39.53 73.37 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 121.215 -0.194 . . . . 0.0 110.994 -178.572 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.31 -49.24 62.32 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.52 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.67 -40.88 97.93 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 24.0 mmt -61.63 -38.08 86.34 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.273 177.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.537 ' CD1' ' HD3' ' A' ' 600' ' ' ARG . 6.5 t80 -50.93 -37.44 44.23 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.593 0.558 . . . . 0.0 111.751 -173.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -50.28 63.25 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.646 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 642' ' ' SER . . . . . 0.528 ' C ' ' H ' ' A' ' 644' ' ' ASN . 23.2 t -65.06 -36.95 85.97 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.808 178.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.64 22.49 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.993 1.717 . . . . 0.0 114.725 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.528 ' H ' ' C ' ' A' ' 642' ' ' SER . 32.7 t30 -70.25 1.1 5.2 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.087 0.47 . . . . 0.0 109.951 -177.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 19.7 m -140.01 138.53 35.53 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.545 173.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.43 ' O ' ' HD1' ' A' ' 650' ' ' TYR . 11.7 mmm180 -55.16 -51.16 67.38 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -174.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -59.99 -40.64 89.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 6.7 tp10 -56.52 -48.4 77.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.104 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.99 -49.46 76.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.462 -175.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.43 ' HD1' ' O ' ' A' ' 646' ' ' ARG . 68.4 m-85 -66.53 -40.19 88.99 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.175 0.512 . . . . 0.0 110.749 -176.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -40.85 86.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.257 -175.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.689 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 96.9 mt -61.08 -50.89 71.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 3.2 mt -61.31 -45.05 96.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.929 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.62 -42.18 82.81 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.604 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.58 -46.06 90.08 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.674 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.689 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 59.0 mmtt -64.98 -40.3 94.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 -175.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.449 ' O ' ' HG3' ' A' ' 661' ' ' GLN . 80.7 mt -61.66 -40.87 88.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.275 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -64.06 -37.21 86.62 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 74.2 mmtt -57.11 -47.96 79.79 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.759 0.314 . . . . 0.0 110.291 177.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.539 ' CD1' HD22 ' B' ' 845' ' ' LEU . 0.3 OUTLIER -63.08 -38.04 81.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.985 177.156 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 661' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 94.8 mt-30 -65.55 -39.72 92.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.199 0.523 . . . . 0.0 109.631 -178.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -64.82 -41.13 96.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.186 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 663' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 65.7 mm-40 -57.64 -46.62 83.94 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.663 178.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 92.2 mt -58.28 -42.49 86.69 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.583 0.552 . . . . 0.0 111.117 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.41 -45.45 90.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.124 0.487 . . . . 0.0 109.872 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.601 -179.754 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.539 HD22 ' CD1' ' A' ' 660' ' ' ILE . 5.9 mp . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.698 0.285 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -43.92 137.36 6.88 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 124.471 3.447 . . . . 0.0 114.877 -174.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 6.2 p -55.44 -37.56 67.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.172 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -54.52 -47.8 72.7 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.743 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 38.9 mm -65.15 -39.85 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.998 0.428 . . . . 0.0 110.32 178.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.462 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 3.0 mmt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.996 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.319 0 CA-C-O 121.032 0.444 . . . . 0.0 111.477 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.541 HG13 HD23 ' A' ' 599' ' ' LEU . 86.9 t -137.68 133.69 45.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.622 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.7 t -91.19 164.15 14.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.873 0.368 . . . . 0.0 111.258 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -64.57 -42.11 95.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.393 0.616 . . . . 0.0 109.795 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -59.27 -39.54 83.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.306 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.622 ' H ' HG23 ' A' ' 596' ' ' THR . 20.6 tp -54.3 -47.73 72.1 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.059 -177.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.51 ' HD3' ' CE1' ' A' ' 640' ' ' TYR . 30.5 mtm105 -57.43 -50.7 72.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.544 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 22.0 p -64.14 -40.18 95.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.859 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -58.99 -48.97 79.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.153 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.506 HD13 ' CD1' ' A' ' 653' ' ' LEU . 47.6 mt -63.73 -38.28 90.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.186 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 600' ' ' ARG . 55.3 t -57.78 -40.61 76.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.555 0.217 . . . . 0.0 110.966 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -62.79 -38.22 89.8 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 121.183 -0.207 . . . . 0.0 110.766 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -58.54 -39.53 80.46 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.179 0.514 . . . . 0.0 110.483 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.13 -48.92 74.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.591 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.429 HG13 HD11 ' A' ' 628' ' ' LEU . 92.3 t -56.37 -42.91 75.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.03 173.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -55.97 -41.58 74.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.744 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.432 ' HB1' HG21 ' A' ' 660' ' ' ILE . . . -61.7 -40.28 94.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.673 178.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 36.2 mt -80.52 -33.95 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.617 0.246 . . . . 0.0 110.732 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -154.88 90.17 3.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 -171.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -78.38 -32.77 2.14 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.024 1.816 . . . . 0.0 112.534 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 25.2 p -64.2 119.48 56.23 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -77.13 91.46 1.17 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.078 2.519 . . . . 0.0 110.992 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 14.7 t70 -102.98 124.65 37.81 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.294 -177.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.61 -32.38 96.57 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.191 2.594 . . . . 0.0 113.693 -175.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -89.43 -47.04 8.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.551 0.215 . . . . 0.0 110.743 -176.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 619' ' ' ALA . . . . . 0.615 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -56.7 -28.79 61.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.502 176.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -30.1 71.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.245 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -102.79 16.67 25.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.006 0.431 . . . . 0.0 110.789 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -99.58 133.53 43.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.489 -175.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -60.74 -38.71 86.09 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.576 -176.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -39.54 75.39 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 122.318 0.247 . . . . 0.0 110.902 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.55 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 46.1 ttm -62.02 -39.02 90.87 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.602 175.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.12 -38.62 87.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.885 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -57.48 -46.89 83.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.746 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.1 pp -66.75 -38.85 87.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.875 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 625' ' ' MET . 99.4 t -65.26 -40.75 89.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.283 0.563 . . . . 0.0 110.144 178.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.2 87.26 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.73 176.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -64.42 -36.92 85.74 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 629' ' ' VAL . . . -55.37 -39.95 70.72 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.084 0.468 . . . . 0.0 110.096 178.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -39.89 95.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.528 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -56.1 -47.11 78.68 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.724 0.297 . . . . 0.0 110.555 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.556 ' O ' ' HG2' ' A' ' 639' ' ' MET . 12.4 t -55.95 -44.47 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.995 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.487 ' OE2' ' HB3' ' A' ' 600' ' ' ARG . 6.3 tt0 -54.88 -45.83 74.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.38 178.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.44 -48.82 74.96 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.694 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.08 -41.5 97.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.797 0.299 . . . . 0.0 111.186 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.556 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 21.7 mmt -64.58 -36.97 85.94 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.229 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.51 ' CE1' ' HD3' ' A' ' 600' ' ' ARG . 4.3 t80 -49.75 -37.05 27.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.199 -0.91 . . . . 0.0 113.058 -170.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.21 -50.5 65.63 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.52 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 642' ' ' SER . . . . . 0.519 ' C ' ' H ' ' A' ' 644' ' ' ASN . 19.5 m -64.35 -37.53 87.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.848 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.44 19.15 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.519 ' H ' ' C ' ' A' ' 642' ' ' SER . 0.1 OUTLIER -83.24 19.31 1.51 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.498 0.666 . . . . 0.0 109.231 -179.673 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 35.3 m -151.08 134.63 16.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -55.24 -51.02 67.96 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -170.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.17 -40.87 97.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.743 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 19.4 tt0 -61.44 -43.37 98.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.935 -177.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.77 -50.34 73.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.757 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -66.17 -39.42 89.74 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -65.16 -42.36 93.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.75 0.31 . . . . 0.0 110.438 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.51 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 93.3 mt -64.07 -48.34 76.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.0 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.514 ' O ' HG13 ' A' ' 657' ' ' ILE . 13.7 mt -64.29 -45.53 87.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.253 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.13 91.27 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.124 0.265 . . . . 0.0 111.439 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -57.39 -43.87 84.0 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.464 0.65 . . . . 0.0 109.483 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.414 ' HZ2' HG11 ' A' ' 635' ' ' VAL . 1.3 tmmm? -58.93 -41.27 86.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.826 178.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 653' ' ' LEU . 64.4 mt -64.33 -44.01 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.867 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -63.41 -38.86 92.76 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 36.9 mmtm -57.29 -45.08 84.45 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.725 177.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.498 HD11 HD22 ' B' ' 845' ' ' LEU . 0.1 OUTLIER -62.93 -37.18 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.301 177.479 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 661' ' ' GLN . . . . . 0.492 ' O ' ' HG3' ' A' ' 665' ' ' GLU . 92.0 mt-30 -65.1 -41.69 94.7 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -175.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 662' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 662' ' ' LYS . 70.3 mmtt -66.6 -40.38 88.83 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.114 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 663' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 67.9 mm-40 -58.77 -49.2 78.53 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.773 0.32 . . . . 0.0 110.633 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 89.4 mt -59.05 -48.38 81.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 665' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 661' ' ' GLN . 52.0 mt-10 -64.8 -42.71 94.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.703 0.287 . . . . 0.0 110.759 -178.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.214 -178.819 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.498 HD22 HD11 ' A' ' 660' ' ' ILE . 5.7 mp . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 120.785 0.326 . . . . 0.0 110.687 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 846' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 845' ' ' LEU . 83.4 Cg_exo -46.63 136.73 16.01 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.993 3.129 . . . . 0.0 114.052 -175.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 20.4 m -55.34 -38.0 68.18 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.736 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -55.17 -48.38 73.85 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.864 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 32.3 mm -64.47 -38.91 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 121.122 0.487 . . . . 0.0 109.956 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.45 ' SD ' HG12 ' A' ' 660' ' ' ILE . 31.4 mmt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.34 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 . . . . . 0 N--CA 1.468 0.458 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.553 HG13 HD23 ' A' ' 599' ' ' LEU . 86.6 t -125.67 131.97 71.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 172.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.492 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.0 t -93.71 154.75 17.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.659 0.266 . . . . 0.0 110.702 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -60.7 -38.0 83.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -55.67 -40.04 71.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.473 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.553 HD23 HG13 ' A' ' 595' ' ' VAL . 19.9 tp -55.92 -47.9 76.65 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.737 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 604' ' ' VAL . 69.5 mtp180 -60.97 -49.7 76.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.943 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 19.1 p -62.62 -38.39 90.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.075 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -55.67 -48.37 75.15 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.116 0.484 . . . . 0.0 110.087 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.425 HD13 ' CD1' ' A' ' 653' ' ' LEU . 39.5 mt -65.05 -37.79 88.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.242 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 600' ' ' ARG . 58.6 t -61.33 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.133 0.492 . . . . 0.0 110.243 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -63.35 -37.33 86.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.61 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -61.38 -40.35 94.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.794 0.331 . . . . 0.0 110.486 175.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.3 tt -64.15 -43.05 96.38 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.495 HG13 HD11 ' A' ' 628' ' ' LEU . 78.4 t -58.16 -46.64 88.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.169 0.509 . . . . 0.0 110.206 172.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.03 -38.7 70.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.985 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.47 -39.32 79.61 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.066 178.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 27.5 mt -82.18 -35.65 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -157.89 100.88 1.8 Allowed Pre-proline 0 N--CA 1.452 -0.331 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -173.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -74.39 -31.27 7.45 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 121.965 1.777 . . . . 0.0 113.181 -170.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 11.4 p -85.01 123.29 73.79 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 120.693 0.282 . . . . 0.0 111.494 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -75.88 65.91 6.79 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.756 2.304 . . . . 0.0 110.964 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.451 ' O ' ' HB2' ' A' ' 620' ' ' LEU . 32.0 t70 -61.24 125.18 83.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.88 -178.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.09 -28.89 87.97 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.964 2.442 . . . . 0.0 113.548 -175.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -79.56 -53.36 6.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.015 0.436 . . . . 0.0 110.082 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -58.26 -27.45 64.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.979 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.528 HD22 ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -63.04 -30.93 71.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.933 -179.209 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 621' ' ' LYS . . . . . 0.413 ' HE2' ' HA ' ' A' ' 621' ' ' LYS . 11.5 mmpt? -95.54 -3.19 47.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.278 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -89.84 136.74 32.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.803 0.335 . . . . 0.0 110.42 -174.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 623' ' ' ARG . . . . . 0.582 ' NH2' ' HG3' ' A' ' 626' ' ' GLU . 3.6 mmp_? -53.48 -37.83 63.07 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.198 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 624' ' ' ARG . 15.9 ttm180 -60.06 -40.19 88.59 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 111.388 0.144 . . . . 0.0 111.388 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.541 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 42.3 ttm -64.55 -39.6 94.05 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.429 177.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 626' ' ' GLU . . . . . 0.582 ' HG3' ' NH2' ' A' ' 623' ' ' ARG . 45.4 mm-40 -61.2 -39.29 89.66 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.773 0.32 . . . . 0.0 110.27 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -61.83 -44.55 96.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.817 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 625' ' ' MET . 0.8 OUTLIER -66.1 -38.28 87.83 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.068 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 625' ' ' MET . 96.7 t -65.05 -41.34 91.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.137 0.494 . . . . 0.0 110.234 177.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 634' ' ' LYS . . . -62.95 -39.73 95.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.491 175.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -59.86 -40.47 88.73 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 176.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.52 -49.52 77.09 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.392 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.607 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -57.28 -39.17 75.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.829 174.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 630' ' ' ALA . 9.1 mtpm? -56.88 -49.53 75.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.779 0.323 . . . . 0.0 110.298 176.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.638 ' O ' ' HG2' ' A' ' 639' ' ' MET . 11.6 t -57.01 -51.88 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.625 174.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.1 OUTLIER -58.16 -39.31 78.5 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 121.239 -0.184 . . . . 0.0 111.074 -178.75 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.38 -47.29 88.84 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.09 -40.61 96.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.025 0.441 . . . . 0.0 110.63 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.638 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 25.0 mmt -61.51 -36.26 80.04 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.554 176.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -51.39 -38.21 52.23 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.537 0.523 . . . . 0.0 111.992 -173.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -49.55 65.42 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.406 0.622 . . . . 0.0 110.432 176.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 642' ' ' SER . . . . . 0.525 ' C ' ' H ' ' A' ' 644' ' ' ASN . 7.6 t -62.64 -34.32 76.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.155 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.97 23.18 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.522 1.529 . . . . 0.0 114.663 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.525 ' H ' ' C ' ' A' ' 642' ' ' SER . 65.5 t30 -74.97 -2.69 28.29 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 13.5 m -138.44 131.66 30.12 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -56.29 -47.79 77.94 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.86 0.362 . . . . 0.0 111.398 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.04 -40.63 96.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.915 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.521 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.3 tp10 -63.89 -48.4 76.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.687 -178.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -54.71 -50.0 69.35 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.333 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -65.57 -39.13 91.3 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -66.34 -40.98 90.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.001 0.429 . . . . 0.0 110.677 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 65.6 mt -62.51 -49.82 73.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.167 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.518 ' O ' HG13 ' A' ' 657' ' ' ILE . 10.3 mt -61.05 -42.45 98.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.825 177.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.63 -44.1 76.78 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.301 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -58.01 -46.29 85.49 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.608 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -64.59 -40.05 94.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.09 -176.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 653' ' ' LEU . 55.0 mt -64.11 -40.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -63.07 -38.31 90.66 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 13.6 tppt? -57.93 -48.0 81.2 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 177.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.564 HG13 HD13 ' B' ' 845' ' ' LEU . 0.5 OUTLIER -59.55 -38.96 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.076 175.121 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 661' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 52.0 mt-30 -65.5 -39.71 92.18 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -64.99 -47.9 75.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.655 176.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 663' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 18.7 mm-40 -61.19 -49.34 77.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.142 -174.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 80.2 mt -59.43 -45.29 91.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.0 0.428 . . . . 0.0 110.686 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -66.01 -49.73 66.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.951 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.725 -175.454 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.564 HD13 HG13 ' A' ' 660' ' ' ILE . 4.3 mp . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.807 0.337 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 846' ' ' PRO . . . . . 0.417 ' HB2' HG12 ' B' ' 849' ' ' ILE . 93.4 Cg_exo -44.44 128.87 8.44 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 124.645 3.564 . . . . 0.0 114.523 -174.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.0 p -57.87 -39.24 77.31 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.246 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.04 -46.94 78.72 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.697 -177.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 849' ' ' ILE . . . . . 0.417 HG12 ' HB2' ' B' ' 846' ' ' PRO . 18.8 mm -64.48 -40.0 87.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.526 ' SD ' HG12 ' A' ' 660' ' ' ILE . 30.9 mmt . . . . . 0 N--CA 1.464 0.263 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.759 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 121.462 0.649 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.474 HG13 HD23 ' A' ' 599' ' ' LEU . 27.7 t -138.26 132.18 41.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.888 171.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.557 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.3 t -90.14 157.81 17.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.748 0.309 . . . . 0.0 111.127 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.35 -38.45 89.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.816 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -57.65 -40.42 79.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.841 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.557 ' H ' HG23 ' A' ' 596' ' ' THR . 18.2 tp -57.6 -44.68 85.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.174 0.511 . . . . 0.0 110.377 176.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.552 ' HD2' ' OH ' ' A' ' 649' ' ' TYR . 20.3 mmm180 -64.01 -50.52 68.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.129 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 11.1 p -66.1 -39.53 90.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.644 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 602' ' ' HIS . . . . . 0.454 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 20.6 t60 -55.67 -49.56 72.61 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.135 0.493 . . . . 0.0 110.481 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' A' ' 653' ' ' LEU . 66.8 mt -64.48 -36.43 84.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.582 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 608' ' ' VAL . 53.3 t -61.81 -41.83 92.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.955 0.407 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -63.64 -39.45 94.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.282 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 602' ' ' HIS . 45.1 mtpt -61.9 -40.14 94.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.994 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.35 -42.29 93.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.037 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.512 HG13 HD11 ' A' ' 628' ' ' LEU . 93.0 t -61.03 -46.36 96.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.21 0.528 . . . . 0.0 110.016 175.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -55.6 -39.36 70.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.826 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.498 ' HB1' HG21 ' A' ' 660' ' ' ILE . . . -60.09 -40.26 88.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.516 177.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.435 HG12 HD11 ' A' ' 660' ' ' ILE . 32.9 mt -75.99 -33.97 26.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.632 0.253 . . . . 0.0 110.334 -178.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -156.47 101.03 2.04 Favored Pre-proline 0 N--CA 1.45 -0.474 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 -171.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -77.09 -34.73 2.06 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.903 1.736 . . . . 0.0 113.317 -173.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 40.0 p -77.87 111.07 15.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 6.3 Cg_exo -82.1 69.42 7.52 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.934 2.423 . . . . 0.0 111.54 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 22.3 t70 -64.49 128.79 93.76 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.24 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -57.33 -28.14 78.64 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.196 2.597 . . . . 0.0 113.774 -176.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.43 -49.93 8.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.328 . . . . 0.0 110.12 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 619' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.08 -28.1 62.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.513 176.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.445 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -64.42 -30.26 71.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.063 -179.421 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -106.32 16.59 24.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.761 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 622' ' ' ASP . . . . . 0.634 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 16.8 t0 -93.58 129.47 39.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.916 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -55.62 -36.65 67.21 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.874 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.634 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 17.7 ttp180 -54.04 -40.94 67.54 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 122.195 0.198 . . . . 0.0 111.52 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.513 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 47.9 ttm -63.63 -38.41 91.02 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.409 178.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -56.4 -38.81 72.03 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.637 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -63.18 -46.09 88.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.168 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.4 pp -65.81 -38.26 88.49 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.233 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 625' ' ' MET . 67.9 t -64.12 -40.28 88.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.147 0.499 . . . . 0.0 110.002 177.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -59.13 -39.03 81.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.358 178.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -58.36 -40.22 81.67 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 121.188 -0.205 . . . . 0.0 110.629 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.96 -44.43 96.77 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.935 0.397 . . . . 0.0 110.264 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.651 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 31.7 mmtp -53.89 -50.59 66.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.875 173.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.525 ' HE2' ' N ' ' A' ' 634' ' ' LYS . 1.2 mpmm? -55.58 -47.3 76.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.564 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.459 ' O ' ' HG2' ' A' ' 639' ' ' MET . 21.7 t -55.53 -49.65 72.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.663 175.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 3.4 pt-20 -56.32 -40.52 74.51 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.607 0.241 . . . . 0.0 110.375 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.84 -50.51 47.05 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.125 -0.559 . . . . 0.0 113.036 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.25 -47.85 82.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 111.074 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.604 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 20.6 mmt -58.95 -36.83 75.47 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.697 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 643' ' ' ALA . 3.8 t80 -50.56 -35.44 29.79 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.866 0.729 . . . . 0.0 112.613 -170.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.56 -50.5 67.01 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.508 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 642' ' ' SER . . . . . 0.484 ' C ' ' H ' ' A' ' 644' ' ' ASN . 16.5 m -65.26 -38.35 90.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.163 0.506 . . . . 0.0 111.192 175.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 643' ' ' ALA . . . . . 0.509 ' HB3' ' HA ' ' A' ' 640' ' ' TYR . . . -59.21 20.76 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.136 1.374 . . . . 0.0 114.492 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.484 ' H ' ' C ' ' A' ' 642' ' ' SER . 38.5 t30 -75.34 2.84 10.25 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.421 0.629 . . . . 0.0 109.852 -175.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 40.1 m -140.94 139.6 34.32 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.175 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -54.87 -50.6 68.28 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -168.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.2 -42.09 98.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.398 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 9.6 tp10 -62.83 -41.93 99.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.638 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 649' ' ' TYR . . . . . 0.552 ' OH ' ' HD2' ' A' ' 600' ' ' ARG . 1.9 t80 -55.5 -49.58 72.18 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.636 -176.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -64.29 -37.47 87.6 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 120.799 0.333 . . . . 0.0 111.289 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -65.18 -44.99 86.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.036 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.604 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 61.7 mt -60.04 -50.82 72.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.209 -176.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.516 ' O ' HG13 ' A' ' 657' ' ' ILE . 6.5 mt -64.24 -44.86 90.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.33 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.19 -42.34 81.04 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.854 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 655' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 25.1 tt0 -60.12 -41.92 93.66 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.136 179.063 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -64.0 -40.84 97.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.446 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 653' ' ' LEU . 54.4 mt -64.93 -40.3 88.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.432 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -64.62 -37.75 88.65 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 75.5 mmtt -56.87 -46.13 82.02 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.662 HG13 HD13 ' B' ' 845' ' ' LEU . 0.2 OUTLIER -60.36 -38.89 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.915 176.448 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.77 -40.58 92.15 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.114 0.483 . . . . 0.0 109.733 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -65.35 -45.26 84.89 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.668 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 663' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 659' ' ' LYS . 24.7 mt-10 -63.04 -39.15 93.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.381 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 82.2 mt -59.2 -39.79 83.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.979 0.419 . . . . 0.0 110.116 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -65.61 -45.37 83.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.523 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.187 -177.573 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.662 HD13 HG13 ' A' ' 660' ' ' ILE . 5.5 mp . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.968 0.413 . . . . 0.0 111.334 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -57.58 144.76 91.7 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 123.333 2.689 . . . . 0.0 112.579 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.3 t -55.55 -37.83 68.5 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.601 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -53.3 -47.67 69.03 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.393 0.433 . . . . 0.0 111.696 -175.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 33.8 mm -66.36 -44.47 90.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.783 0.325 . . . . 0.0 111.143 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 33.2 mmt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.23 0.538 . . . . 0.0 110.459 178.11 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.8 p80 . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 43.0 t -137.67 132.68 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.584 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.3 t -90.98 150.77 21.33 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.203 177.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -59.02 -38.12 78.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.129 0.49 . . . . 0.0 109.726 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -57.74 -40.05 78.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.946 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.584 ' H ' HG23 ' A' ' 596' ' ' THR . 21.0 tp -57.74 -52.16 66.58 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.762 0.315 . . . . 0.0 111.007 177.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.406 ' O ' HG23 ' A' ' 604' ' ' VAL . 24.0 mtp180 -64.78 -46.8 80.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.67 -177.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 32.6 p -64.22 -40.31 95.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.909 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -57.49 -43.54 84.21 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.161 0.505 . . . . 0.0 110.272 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 35.1 mt -64.14 -38.24 90.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.874 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 600' ' ' ARG . 74.5 t -64.42 -45.16 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -178.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -63.19 -39.04 93.49 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.87 -40.25 94.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.455 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.84 -43.87 91.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.834 176.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.523 HG13 HD11 ' A' ' 628' ' ' LEU . 66.7 t -55.28 -45.2 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.152 0.501 . . . . 0.0 110.412 172.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 609' ' ' GLN . . . . . 0.413 ' HG2' ' HA ' ' A' ' 613' ' ' PRO . 1.0 OUTLIER -58.19 -38.72 77.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.539 178.301 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.2 -40.91 91.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.364 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.8 mt -80.5 -32.45 13.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -156.43 93.06 2.47 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -174.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 613' ' ' PRO . . . . . 0.413 ' HA ' ' HG2' ' A' ' 609' ' ' GLN . 41.5 Cg_endo -74.72 -32.85 5.48 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.078 1.852 . . . . 0.0 113.171 -170.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 13.8 p -73.93 108.49 5.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.317 -177.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 5.6 Cg_exo -80.41 75.58 4.97 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.888 2.392 . . . . 0.0 111.754 -178.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.452 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 15.5 t70 -73.06 124.87 91.15 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.83 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.78 -26.33 65.73 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.316 2.677 . . . . 0.0 113.742 -174.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -88.1 -49.04 7.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 0.0 110.35 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 619' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 622' ' ' ASP . . . -57.35 -27.96 62.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.324 175.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.552 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -61.4 -33.26 73.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.411 178.873 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -96.15 15.37 21.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.145 -177.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 622' ' ' ASP . . . . . 0.552 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 0.6 OUTLIER -97.29 141.12 30.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.234 0.54 . . . . 0.0 111.115 -173.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -64.08 -38.43 91.05 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.233 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.552 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 56.0 ttp180 -57.28 -43.94 83.59 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.738 0.304 . . . . 0.0 110.678 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.552 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 40.0 ttm -62.64 -38.38 90.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.769 175.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -56.35 -39.26 72.58 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.838 0.352 . . . . 0.0 110.158 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -61.97 -43.06 99.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.507 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.523 HD11 HG13 ' A' ' 608' ' ' VAL . 0.6 OUTLIER -66.99 -38.82 86.71 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.795 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 625' ' ' MET . 62.5 t -64.68 -40.22 88.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-O 121.148 0.499 . . . . 0.0 110.125 178.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.52 83.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.663 177.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -64.59 -38.61 91.6 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 175.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.89 94.43 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.071 0.462 . . . . 0.0 110.028 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.584 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 25.8 mmtp -59.86 -46.92 87.78 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.579 0.704 . . . . 0.0 111.266 173.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -54.1 -43.74 70.65 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.226 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.514 ' O ' ' HG2' ' A' ' 639' ' ' MET . 20.7 t -60.2 -49.96 82.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.724 176.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 3.9 pt-20 -56.3 -40.02 73.66 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.872 0.367 . . . . 0.0 110.436 -178.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.47 -48.26 70.29 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.744 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.36 -43.26 95.08 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.562 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 25.5 mmt -56.36 -36.67 69.07 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.713 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.497 ' HA ' ' HB3' ' A' ' 643' ' ' ALA . 17.2 t80 -49.23 -35.09 16.5 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.938 0.774 . . . . 0.0 112.919 -173.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.75 -52.24 61.32 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 119.66 -0.816 . . . . 0.0 110.61 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 642' ' ' SER . . . . . 0.439 ' C ' ' H ' ' A' ' 644' ' ' ASN . 23.4 t -67.75 -39.66 84.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.094 176.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 643' ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' ' 640' ' ' TYR . . . -57.73 20.38 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.439 ' H ' ' C ' ' A' ' 642' ' ' SER . 61.0 t30 -71.04 -1.92 13.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.222 0.534 . . . . 0.0 109.612 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 43.5 m -128.64 138.1 52.0 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.442 174.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -55.88 -49.96 71.95 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.637 0.256 . . . . 0.0 111.628 -176.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.92 -40.17 83.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.938 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 7.7 tp10 -62.09 -46.07 90.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.377 -178.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -55.59 -46.24 77.32 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.242 -175.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -62.7 -38.02 88.77 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 122.649 0.38 . . . . 0.0 111.25 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -66.3 -42.34 88.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.654 -174.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.562 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 46.7 mt -62.62 -50.38 71.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.361 -175.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.485 ' CD1' HD13 ' A' ' 603' ' ' LEU . 10.8 mt -62.34 -42.86 99.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.399 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.81 -44.93 78.32 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.57 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.12 -49.61 76.37 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.812 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -64.98 -41.64 95.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.272 -174.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.09 -40.61 89.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.818 0.342 . . . . 0.0 110.266 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -64.52 -37.39 87.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.319 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.484 ' O ' ' HB3' ' A' ' 662' ' ' LYS . 71.1 mmtt -57.7 -43.59 85.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.103 0.478 . . . . 0.0 110.472 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.539 HG13 HD13 ' B' ' 845' ' ' LEU . 1.0 OUTLIER -64.13 -37.83 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.767 175.694 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -64.12 -38.51 91.33 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 662' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 659' ' ' LYS . 21.4 tttm -56.39 -47.11 79.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.132 173.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -61.34 -40.1 93.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.328 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 92.1 mt -64.38 -39.03 93.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.089 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.08 -45.71 84.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.136 0.494 . . . . 0.0 110.353 172.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.558 -176.141 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.539 HD13 HG13 ' A' ' 660' ' ' ILE . 5.8 mp . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -35.36 129.48 0.28 Allowed 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 125.239 3.959 . . . . 0.0 114.926 -174.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.8 m -55.05 -38.59 68.19 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.855 176.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.45 -46.89 85.66 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.696 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 40.9 mm -65.66 -40.19 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 120.968 0.413 . . . . 0.0 110.388 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.432 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 2.5 mmt . . . . . 0 N--CA 1.463 0.208 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.953 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.6 p80 . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 86.4 t -134.89 132.31 53.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 118.371 0.532 . . . . 0.0 110.372 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.569 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.0 t -91.39 152.23 20.5 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 175.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -60.35 -38.69 84.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.347 0.594 . . . . 0.0 109.586 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -56.22 -40.92 74.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.665 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.569 ' H ' HG23 ' A' ' 596' ' ' THR . 17.9 tp -60.3 -48.35 82.1 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.651 177.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -59.01 -50.35 74.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.098 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 44.0 p -65.23 -40.56 94.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.91 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -56.66 -50.57 71.69 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.384 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 653' ' ' LEU . 42.0 mt -66.01 -38.98 89.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.225 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 608' ' ' VAL . 19.8 t -64.59 -45.41 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.856 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -63.99 -39.17 93.51 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.33 -40.08 95.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.286 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.9 tt -61.94 -44.03 97.61 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 604' ' ' VAL . 97.2 t -60.65 -45.05 98.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.459 174.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -58.26 -38.18 76.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.772 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.03 93.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.725 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.498 HG12 HD13 ' A' ' 660' ' ' ILE . 23.0 mt -78.56 -30.41 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.113 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -155.92 101.17 2.14 Favored Pre-proline 0 CA--C 1.531 0.245 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -79.13 -34.02 1.27 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.144 1.896 . . . . 0.0 113.46 -172.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.465 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 23.4 p -69.38 110.56 6.51 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.2 Cg_exo -83.92 72.84 5.15 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.213 2.609 . . . . 0.0 111.518 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.606 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 21.2 t70 -77.93 129.1 77.11 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.012 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -55.85 -28.97 70.37 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.514 2.809 . . . . 0.0 113.649 -174.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -92.75 -48.28 6.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.614 0.245 . . . . 0.0 110.557 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 619' ' ' ALA . . . . . 0.606 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.58 -28.46 63.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.664 178.017 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.471 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -62.16 -31.84 72.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.196 0.522 . . . . 0.0 110.324 178.095 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -97.64 18.0 16.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.541 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 622' ' ' ASP . . . . . 0.586 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 5.2 t70 -93.62 129.72 39.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.157 -175.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -58.08 -39.5 78.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.439 -177.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.586 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 28.4 ttp180 -57.7 -46.8 83.88 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.623 177.096 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.557 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 41.9 ttm -64.44 -39.84 94.59 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.772 175.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 626' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 622' ' ' ASP . 39.6 mt-10 -58.08 -38.59 76.66 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-O 120.729 0.3 . . . . 0.0 110.763 -178.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -62.61 -40.72 97.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.203 178.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 625' ' ' MET . 0.7 OUTLIER -68.42 -38.16 80.96 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.017 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 625' ' ' MET . 84.5 t -64.15 -40.29 88.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-O 121.131 0.491 . . . . 0.0 110.217 178.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.478 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -58.58 -37.79 76.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.506 177.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -59.31 -37.5 77.91 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.296 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.51 94.9 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.206 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.531 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -65.02 -40.84 95.46 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 120.941 0.401 . . . . 0.0 110.509 175.424 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 31.3 mmmt -56.02 -42.88 77.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.966 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 639' ' ' MET . 19.6 t -55.61 -49.79 71.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.678 176.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 3.2 pt-20 -56.87 -39.98 75.33 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.255 -178.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.77 -48.52 71.33 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.775 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -63.71 -43.8 95.5 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.912 0.386 . . . . 0.0 110.963 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.5 mmt -64.26 -36.17 83.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.631 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.407 ' HA ' ' HB3' ' A' ' 643' ' ' ALA . 16.1 t80 -48.17 -36.64 13.98 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.803 0.689 . . . . 0.0 112.595 -173.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -65.5 -49.99 66.95 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.165 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 642' ' ' SER . . . . . 0.452 ' C ' ' H ' ' A' ' 644' ' ' ASN . 15.4 m -66.56 -39.34 88.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.449 176.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 643' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 640' ' ' TYR . . . -57.44 19.7 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.452 ' H ' ' C ' ' A' ' 642' ' ' SER . 65.9 t30 -70.81 -5.99 34.46 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 16.5 m -130.77 141.61 50.37 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.66 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -57.13 -50.03 74.07 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.602 0.239 . . . . 0.0 111.544 -177.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.53 -42.28 91.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.549 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.7 tp10 -62.18 -46.14 90.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.621 -177.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -55.88 -49.42 73.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.82 -175.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -66.33 -38.76 88.43 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.283 0.563 . . . . 0.0 110.967 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -43.57 89.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.005 -173.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 70.1 mt -63.18 -50.13 71.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.078 -177.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 603' ' ' LEU . 13.7 mt -62.45 -40.96 98.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.628 -178.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.89 78.79 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.727 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -55.94 -47.12 78.13 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.01 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -63.8 -40.16 95.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.553 -171.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 75.5 mt -60.88 -49.42 84.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.596 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -66.21 -38.69 88.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.038 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 659' ' ' LYS . 71.4 mmtt -60.45 -47.57 85.52 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.171 -178.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.542 HG13 HD13 ' B' ' 845' ' ' LEU . 1.3 mt -63.64 -39.18 84.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.915 177.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -64.58 -38.96 92.82 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.182 0.515 . . . . 0.0 109.961 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -64.32 -43.0 96.03 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.222 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.6 -42.53 95.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.512 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 86.3 mt -58.2 -45.29 87.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.865 0.364 . . . . 0.0 110.087 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.77 -42.7 94.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.757 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.049 179.062 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.542 HD13 HG13 ' A' ' 660' ' ' ILE . 1.7 mt . . . . . 0 CA--C 1.53 0.208 0 CA-C-O 120.427 0.156 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 846' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' B' ' 845' ' ' LEU . 11.1 Cg_endo -53.98 123.02 12.45 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.402 2.735 . . . . 0.0 113.832 -176.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 11.3 p -55.99 -36.51 67.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.355 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -52.77 -49.04 66.34 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.098 -175.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 32.3 mm -64.6 -38.36 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.663 0.268 . . . . 0.0 110.508 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.457 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 7.6 mmt . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.946 0.403 . . . . 0.0 110.786 177.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 . . . . . 0 N--CA 1.466 0.342 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.468 HG13 HD23 ' A' ' 599' ' ' LEU . 82.0 t -129.14 132.83 66.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 171.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.525 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.7 t -93.49 157.85 16.0 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 121.001 -0.279 . . . . 0.0 111.124 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -61.55 -39.65 91.86 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.53 -39.99 74.3 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.922 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.525 ' H ' HG23 ' A' ' 596' ' ' THR . 18.9 tp -57.68 -51.03 71.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.866 178.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -66.01 -45.38 81.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.604 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 35.2 p -64.04 -39.86 95.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.974 -176.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -57.59 -43.71 84.84 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.145 0.498 . . . . 0.0 110.123 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 65.7 mt -63.86 -36.23 83.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.515 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.59 -43.85 95.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.961 0.41 . . . . 0.0 110.257 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -60.0 -37.78 80.68 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.537 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 603' ' ' LEU . 31.2 mmmt -55.48 -48.55 74.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.545 177.163 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.2 tt -65.16 -41.62 94.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.418 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.515 HG13 HD11 ' A' ' 628' ' ' LEU . 96.9 t -60.63 -47.49 92.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.923 0.392 . . . . 0.0 110.385 176.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -58.13 -38.35 76.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.54 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.81 84.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.025 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.4 mt -83.88 -33.67 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -157.13 93.59 2.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -173.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -79.42 -36.84 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 121.884 1.723 . . . . 0.0 112.648 -175.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 20.3 p -67.09 117.25 44.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -176.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 6.1 Cg_exo -81.2 61.72 8.24 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.153 2.568 . . . . 0.0 111.806 177.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.459 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 19.3 t70 -63.91 127.61 91.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.153 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.17 -28.33 83.56 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.266 2.644 . . . . 0.0 113.474 -175.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -87.93 -49.92 6.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.828 0.347 . . . . 0.0 110.654 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 619' ' ' ALA . . . . . 0.459 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -59.89 -28.23 67.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.593 177.296 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 616' ' ' ASP . 0.2 OUTLIER -64.81 -32.37 74.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.295 0.569 . . . . 0.0 109.74 179.165 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -93.89 11.64 28.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.906 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -89.83 131.89 35.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.067 0.461 . . . . 0.0 110.252 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -61.21 -37.55 83.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.299 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -64.83 -38.17 90.08 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.488 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 0.0 OUTLIER -55.69 -43.74 76.7 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.046 175.112 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.89 -38.14 78.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.852 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -60.51 -40.72 92.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.033 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.515 HD11 HG13 ' A' ' 608' ' ' VAL . 0.7 OUTLIER -66.63 -38.36 86.78 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.335 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.85 -42.97 96.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 121.218 0.533 . . . . 0.0 109.563 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -60.12 -37.99 81.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.633 175.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -60.91 -40.01 91.5 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.62 98.41 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.865 0.364 . . . . 0.0 110.074 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 630' ' ' ALA . 31.5 mmtp -54.47 -50.12 68.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.883 172.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 630' ' ' ALA . 67.7 mttm -55.78 -44.48 77.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.556 176.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.6 ' O ' ' HG2' ' A' ' 639' ' ' MET . 6.4 t -54.84 -47.09 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.805 172.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 633' ' ' LYS . 7.9 tt0 -55.54 -41.47 73.26 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 122.631 0.372 . . . . 0.0 110.77 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.21 -47.91 80.17 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.587 177.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.74 -42.2 97.91 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.991 0.424 . . . . 0.0 110.938 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.6 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.9 mmt -61.67 -37.4 83.96 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.39 178.077 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -51.26 -38.97 55.62 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 123.594 0.559 . . . . 0.0 111.574 -174.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.44 -50.28 59.97 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.228 0.537 . . . . 0.0 110.636 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 642' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 644' ' ' ASN . 4.5 t -64.68 -35.81 82.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.236 -178.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -56.5 22.2 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.518 1.527 . . . . 0.0 114.527 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.517 ' H ' ' C ' ' A' ' 642' ' ' SER . 64.5 t30 -73.31 -3.77 29.09 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -177.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 43.2 m -135.11 133.67 39.46 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -55.76 -50.09 71.36 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.29 -40.4 96.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.34 -43.7 98.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.62 -49.14 73.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.067 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -64.35 -38.37 90.79 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 111.755 0.279 . . . . 0.0 111.755 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -65.37 -41.1 94.15 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.971 0.415 . . . . 0.0 110.494 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.463 ' O ' ' HD3' ' A' ' 656' ' ' LYS . 39.7 mt -61.95 -52.32 64.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.031 -178.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.47 ' CD1' HD13 ' A' ' 603' ' ' LEU . 9.2 mt -60.69 -44.64 96.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.187 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.11 -42.05 80.12 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.659 178.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -59.82 -50.03 75.4 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.463 ' HD3' ' O ' ' A' ' 652' ' ' LEU . 2.7 mptp? -64.89 -40.02 94.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.858 -175.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.71 -44.72 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.349 . . . . 0.0 110.389 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 658' ' ' TYR . . . . . 0.517 ' O ' ' HG3' ' A' ' 662' ' ' LYS . 5.8 t80 -64.5 -38.61 91.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.367 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -56.99 -46.38 82.31 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-O 120.743 0.306 . . . . 0.0 110.645 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.486 HG13 HD13 ' B' ' 845' ' ' LEU . 0.8 OUTLIER -61.54 -38.32 79.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.148 176.822 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.34 -40.35 93.56 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.229 0.538 . . . . 0.0 109.746 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 662' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 658' ' ' TYR . 7.0 mtpm? -65.12 -40.45 94.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.525 177.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.56 -48.03 82.84 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 93.9 mt -59.26 -40.6 86.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.047 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -60.55 -50.66 72.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.421 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.585 -178.674 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.486 HD13 HG13 ' A' ' 660' ' ' ILE . 5.8 mp . . . . . 0 CA--C 1.53 0.186 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.22 135.04 52.44 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.574 2.85 . . . . 0.0 114.152 -172.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 847' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' B' ' 850' ' ' MET . 19.2 m -59.67 -37.76 79.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.038 177.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.99 -43.42 86.55 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.864 -176.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 19.9 mm -64.42 -39.18 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.444 ' HB2' ' O ' ' B' ' 847' ' ' SER . 32.5 mmt . . . . . 0 N--CA 1.463 0.204 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.751 175.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 8.9 p80 . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.51 HG13 HD23 ' A' ' 599' ' ' LEU . 84.6 t -128.07 129.6 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 170.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.575 HG23 ' H ' ' A' ' 599' ' ' LEU . 4.0 t -90.41 160.38 16.08 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.085 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -64.25 -39.78 94.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.966 0.412 . . . . 0.0 110.057 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -56.62 -40.88 76.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.824 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.575 ' H ' HG23 ' A' ' 596' ' ' THR . 15.1 tp -60.0 -44.47 94.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.228 0.537 . . . . 0.0 110.162 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -64.72 -49.7 69.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.791 -175.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 24.8 p -66.09 -41.65 90.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.651 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -61.36 -43.89 98.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.942 -175.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 92.4 mt -61.3 -37.17 82.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.783 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 73.4 t -58.9 -40.38 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.133 0.492 . . . . 0.0 110.379 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.425 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 12.4 m-70 -62.95 -39.22 93.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.393 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -56.81 -44.45 82.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.52 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.91 -44.53 89.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.244 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.452 HG13 HD11 ' A' ' 628' ' ' LEU . 92.4 t -60.15 -48.17 89.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.063 176.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 609' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 15.0 mm100 -58.17 -38.52 76.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.993 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.35 -38.93 72.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.033 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.435 ' CG1' HD11 ' A' ' 660' ' ' ILE . 32.4 mt -78.47 -38.98 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -157.83 100.8 1.81 Allowed Pre-proline 0 CA--C 1.53 0.174 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -171.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -80.43 -31.49 1.59 Allowed 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 122.212 1.941 . . . . 0.0 113.679 -172.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 13.5 p -83.68 111.77 34.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -175.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -81.15 82.56 2.4 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.061 2.507 . . . . 0.0 112.255 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.443 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 25.0 t70 -70.13 128.56 91.45 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.133 177.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.0 -26.5 75.31 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.183 2.589 . . . . 0.0 113.946 -177.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -89.31 -50.94 5.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 0.0 110.458 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 619' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -56.04 -26.69 50.12 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.44 176.285 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -26.92 69.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.05 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -104.51 16.01 26.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.252 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -99.94 135.45 41.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.155 0.502 . . . . 0.0 110.235 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -56.37 -38.36 71.35 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.698 -174.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -59.88 -41.74 92.23 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.8 0.333 . . . . 0.0 110.75 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.554 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 5.3 tpp -62.83 -40.69 98.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.664 175.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.16 -38.94 92.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.921 -178.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -58.95 -43.14 91.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.044 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.0 OUTLIER -67.81 -38.39 83.22 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.056 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.454 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 94.6 t -64.81 -43.74 96.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.187 0.517 . . . . 0.0 109.848 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.524 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -59.32 -38.6 80.7 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.233 176.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -57.74 -41.07 81.15 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.506 0.193 . . . . 0.0 110.777 177.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.42 -42.96 95.76 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.936 0.398 . . . . 0.0 110.589 177.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.653 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 37.9 mmtm -52.56 -50.99 61.83 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.026 171.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -55.44 -45.23 76.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.901 175.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 639' ' ' MET . 16.3 t -54.05 -49.61 59.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.697 177.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 4.4 pt-20 -56.09 -40.35 73.52 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.572 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.66 -48.2 75.29 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.519 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.62 -45.6 89.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.945 0.403 . . . . 0.0 111.009 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.561 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 19.9 mmt -61.63 -36.24 80.21 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.379 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -49.36 -36.85 22.72 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.809 0.693 . . . . 0.0 112.577 -172.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -66.03 -51.0 62.2 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.39 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 642' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 644' ' ' ASN . 15.1 m -64.65 -37.88 89.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.0 178.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -54.88 21.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.485 1.514 . . . . 0.0 114.903 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.502 ' H ' ' C ' ' A' ' 642' ' ' SER . 1.3 t30 -82.74 19.7 1.28 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 70.1 p -155.66 146.76 22.48 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -57.11 -47.8 80.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.799 0.333 . . . . 0.0 111.165 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.51 -46.59 89.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.72 -176.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.2 -45.1 89.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.963 -177.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -49.87 74.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -175.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -64.88 -38.29 90.49 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -64.83 -46.87 80.1 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.881 0.372 . . . . 0.0 110.513 -174.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.561 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 80.7 mt -59.92 -49.26 78.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.546 -177.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.579 ' O ' HG13 ' A' ' 657' ' ' ILE . 5.3 mt -63.68 -44.67 93.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.871 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -58.25 -45.71 87.31 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.627 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 655' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 19.1 tt0 -56.35 -44.18 79.83 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.61 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.448 ' HE3' HG22 ' A' ' 635' ' ' VAL . 45.8 mttm -61.01 -40.53 93.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.525 177.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 653' ' ' LEU . 31.2 mt -62.75 -39.87 86.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.946 0.403 . . . . 0.0 109.97 -178.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -64.38 -39.29 93.57 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.274 175.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 74.9 mmtt -59.2 -41.12 87.79 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.161 0.505 . . . . 0.0 110.201 177.335 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.537 HG12 ' SD ' ' B' ' 850' ' ' MET . 0.2 OUTLIER -56.66 -37.91 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.232 176.35 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 661' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 665' ' ' GLU . 75.5 mt-30 -65.15 -41.29 94.89 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -173.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 662' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 97.2 mttt -65.54 -45.69 82.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.65 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -57.11 -49.4 76.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 94.7 mt -58.95 -44.1 91.38 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.1 -177.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 665' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 661' ' ' GLN . 23.9 mm-40 -64.74 -47.0 79.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.269 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 666' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 662' ' ' LYS . 72.7 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.072 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.521 HD13 HG13 ' A' ' 660' ' ' ILE . 5.3 mp . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.26 131.43 43.18 Favored 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 123.034 2.489 . . . . 0.0 112.247 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.7 t -55.31 -38.83 69.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.272 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -55.29 -47.97 74.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.786 -177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 29.8 mm -64.98 -40.45 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.161 0.505 . . . . 0.0 110.463 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.537 ' SD ' HG12 ' A' ' 660' ' ' ILE . 2.6 mmt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.378 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 1.7 p80 . . . . . 0 N--CA 1.466 0.363 0 CA-C-O 120.782 0.325 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.484 HG13 HD23 ' A' ' 599' ' ' LEU . 73.6 t -134.79 133.48 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 168.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.611 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.5 t -90.62 153.83 20.03 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.371 175.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -63.56 -39.01 93.3 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -55.6 -38.23 69.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.685 178.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.611 ' H ' HG23 ' A' ' 596' ' ' THR . 16.8 tp -56.21 -49.41 74.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.328 177.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -64.99 -43.97 90.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.543 -178.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 12.0 p -64.42 -38.92 92.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.881 0.372 . . . . 0.0 110.539 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -61.0 -44.16 97.82 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.21 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 55.8 mt -62.49 -37.15 84.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.305 -178.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.58 -44.61 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.93 0.395 . . . . 0.0 110.241 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -64.74 -40.29 95.07 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.02 -40.31 73.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.386 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.41 -50.09 68.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.042 176.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 92.9 t -56.28 -49.02 78.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.504 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.47 -37.52 78.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.792 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -55.62 -39.41 70.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.731 0.3 . . . . 0.0 110.939 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 28.8 mt -83.2 -32.29 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.536 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -156.19 91.34 2.64 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -172.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 613' ' ' PRO . . . . . 0.453 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 57.9 Cg_endo -81.43 -25.04 4.03 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.301 2.001 . . . . 0.0 113.108 -174.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 23.2 p -86.59 106.58 10.82 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.648 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 6.2 Cg_exo -81.56 82.64 2.32 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.122 2.548 . . . . 0.0 112.024 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.61 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 26.8 t70 -69.23 130.99 90.67 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.72 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.78 -26.65 48.68 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.27 2.647 . . . . 0.0 113.761 -176.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -93.92 -52.36 4.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.702 0.286 . . . . 0.0 110.902 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 619' ' ' ALA . . . . . 0.61 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.01 -27.18 61.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.341 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.444 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -60.44 -26.43 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.459 0.647 . . . . 0.0 109.618 178.086 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -101.53 17.83 21.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.897 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -90.66 133.68 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.123 0.487 . . . . 0.0 110.368 -176.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -55.95 -39.41 71.69 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -63.68 -38.95 93.03 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.43 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.444 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 43.1 ttm -57.6 -38.74 75.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.002 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.84 -38.78 83.06 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.079 0.466 . . . . 0.0 110.141 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -62.01 -39.8 93.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.683 177.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -41.82 86.67 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.437 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 69.1 t -65.81 -41.59 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.353 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -60.79 -39.19 87.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.765 176.004 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -64.9 -38.22 90.24 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 175.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.63 97.24 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.005 0.431 . . . . 0.0 109.851 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.592 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 29.6 mmtp -57.91 -49.92 75.12 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.578 0.704 . . . . 0.0 111.16 173.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -54.78 -46.24 74.4 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.841 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 639' ' ' MET . 8.0 t -56.71 -50.63 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.488 175.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.592 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.5 OUTLIER -58.69 -38.52 78.44 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.501 -178.479 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -62.95 -46.59 93.25 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.379 178.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -63.89 -43.54 95.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.126 0.488 . . . . 0.0 110.341 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.585 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 20.5 mmt -64.16 -38.0 89.49 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.754 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -51.94 -36.89 50.82 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.623 0.577 . . . . 0.0 111.773 -177.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.24 -49.12 68.3 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.548 176.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 642' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 644' ' ' ASN . 18.7 m -64.69 -37.16 86.65 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.987 178.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -51.0 20.8 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 116.423 2.009 . . . . 0.0 116.423 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 642' ' ' SER . 0.2 OUTLIER -77.29 17.26 0.5 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 -177.83 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 68.1 m -155.39 135.3 12.84 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -54.59 -49.93 69.23 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.662 0.268 . . . . 0.0 111.557 -176.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.89 -40.18 96.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -176.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -64.6 -46.33 83.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.907 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.11 -49.37 74.05 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -178.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -64.73 -38.89 92.52 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -65.89 -45.35 82.35 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.772 -174.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.405 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 91.7 mt -60.25 -49.87 75.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.122 -178.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.585 ' O ' HG13 ' A' ' 657' ' ' ILE . 11.0 mt -62.81 -46.86 86.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.056 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.02 74.0 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.84 -40.5 95.52 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.392 0.615 . . . . 0.0 109.92 -178.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.477 ' HG2' HD11 ' B' ' 845' ' ' LEU . 13.0 ttpp -61.08 -43.28 99.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.447 178.26 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 653' ' ' LEU . 87.1 mt -60.55 -44.99 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.654 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 658' ' ' TYR . . . . . 0.427 ' CD2' ' HE3' ' A' ' 662' ' ' LYS . 3.3 t80 -61.09 -37.1 81.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -55.2 -45.55 75.85 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 110.905 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.424 HG13 HD13 ' B' ' 845' ' ' LEU . 0.4 OUTLIER -64.3 -38.46 82.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.048 177.146 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -65.64 -38.27 88.89 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 662' ' ' LYS . . . . . 0.427 ' HE3' ' CD2' ' A' ' 658' ' ' TYR . 98.8 mttt -60.56 -43.13 97.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.262 177.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -59.17 -46.85 87.31 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.418 176.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.36 -45.11 94.66 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.165 0.29 . . . . 0.0 111.003 -178.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -64.55 -49.26 71.93 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.799 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.71 -175.898 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.477 HD11 ' HG2' ' A' ' 656' ' ' LYS . 5.1 mp . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.84 130.72 35.41 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.17 2.58 . . . . 0.0 113.355 -176.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 847' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' B' ' 850' ' ' MET . 46.8 m -55.74 -36.77 67.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.83 177.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -55.23 -41.14 71.7 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -177.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 16.4 mm -64.58 -38.48 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' B' ' 847' ' ' SER . 4.6 mmt . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.578 175.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 121.187 0.518 . . . . 0.0 111.571 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.496 HG13 HD23 ' A' ' 599' ' ' LEU . 61.0 t -138.0 133.97 44.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 173.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.596 HG23 ' H ' ' A' ' 599' ' ' LEU . 4.0 t -92.07 156.42 17.4 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.27 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -63.9 -38.75 92.22 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -55.8 -39.47 71.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.753 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.605 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 19.8 tp -56.28 -49.97 72.74 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.719 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -64.91 -44.12 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.604 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 17.7 p -64.88 -39.16 93.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.936 0.398 . . . . 0.0 110.198 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -56.28 -47.83 77.84 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.331 175.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 37.7 mt -62.22 -38.53 89.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.147 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 608' ' ' VAL . 53.0 t -64.28 -49.69 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.333 . . . . 0.0 110.535 -178.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -65.38 -40.0 92.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.949 0.404 . . . . 0.0 110.316 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -61.64 -39.54 91.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.482 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.88 -44.94 91.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.79 176.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.572 HG13 HD11 ' A' ' 628' ' ' LEU . 94.7 t -55.76 -45.81 79.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 121.029 0.443 . . . . 0.0 110.783 173.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -55.73 -39.91 71.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.209 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.64 92.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.48 178.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.2 mt -78.14 -27.7 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.511 -177.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -148.13 89.78 5.16 Favored Pre-proline 0 C--N 1.328 -0.363 0 C-N-CA 121.236 -0.185 . . . . 0.0 110.578 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -77.22 -36.84 1.21 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 121.733 1.622 . . . . 0.0 112.605 -176.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.494 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 35.3 p -64.91 126.04 90.29 Favored Pre-proline 0 C--O 1.235 0.325 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 6.0 Cg_exo -81.67 76.12 4.51 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.999 2.466 . . . . 0.0 111.352 174.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 21.0 m-20 -86.01 113.74 53.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.951 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 10.7 Cg_endo -54.06 -32.94 71.38 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 123.108 2.538 . . . . 0.0 113.278 -176.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -71.27 -50.95 27.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.506 178.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -59.14 -32.49 69.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.878 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -36.69 74.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.144 0.497 . . . . 0.0 110.226 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -103.23 16.43 26.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.985 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -99.37 131.94 45.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.905 0.383 . . . . 0.0 110.1 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -54.96 -34.76 63.58 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.943 177.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -53.15 -38.53 62.81 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 121.214 -0.194 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.533 ' O ' HG23 ' A' ' 629' ' ' VAL . 38.7 ttm -62.07 -38.34 88.43 Favored 'General case' 0 CA--C 1.527 0.085 0 CA-C-O 120.626 0.25 . . . . 0.0 110.736 178.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -58.04 -39.34 78.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.406 -177.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -61.83 -48.69 79.46 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.084 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.572 HD11 HG13 ' A' ' 608' ' ' VAL . 1.1 pp -66.15 -36.78 84.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.143 -178.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 625' ' ' MET . 81.8 t -63.62 -40.62 89.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.061 0.458 . . . . 0.0 110.068 176.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -58.24 -38.72 77.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.259 177.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -60.19 -39.3 86.02 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.6 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.94 99.03 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.936 0.398 . . . . 0.0 110.349 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 30.0 mmtp -54.44 -49.57 69.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.953 173.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 75.8 mmtt -55.25 -47.89 74.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.338 176.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.638 ' O ' ' HG2' ' A' ' 639' ' ' MET . 16.8 t -55.86 -51.34 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.648 176.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.6 OUTLIER -60.16 -39.34 86.08 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.544 -178.085 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -61.84 -45.25 96.59 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.597 177.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -64.18 -44.98 90.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.053 0.454 . . . . 0.0 110.901 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.638 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 21.9 mmt -63.92 -36.01 82.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.521 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -49.67 -38.16 31.59 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.16 -173.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.47 -50.68 62.49 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 120.304 -0.559 . . . . 0.0 110.884 177.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 642' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 644' ' ' ASN . 9.3 m -64.3 -36.96 85.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.214 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.91 21.21 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.782 1.633 . . . . 0.0 115.318 178.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.482 ' H ' ' C ' ' A' ' 642' ' ' SER . 63.9 t30 -70.18 -9.87 57.08 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 25.6 m -132.34 142.57 49.38 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -55.5 -50.53 69.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.718 0.294 . . . . 0.0 111.606 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -62.39 -40.93 98.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.987 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.26 -47.14 86.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.812 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.85 -49.99 73.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.205 -175.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -64.21 -37.99 89.46 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 120.713 0.292 . . . . 0.0 111.654 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -64.3 -49.06 73.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.909 -174.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.589 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 75.8 mt -61.39 -50.31 73.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.132 -176.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.472 ' CD1' HD13 ' A' ' 603' ' ' LEU . 9.1 mt -61.75 -44.51 96.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.122 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.52 -47.25 79.74 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.662 -178.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 655' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 17.4 tt0 -59.71 -47.79 84.25 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.644 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 30.1 mmmt -63.63 -41.08 98.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.584 -176.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.533 ' O ' ' HG3' ' A' ' 661' ' ' GLN . 75.6 mt -62.31 -43.83 98.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -64.54 -39.05 93.04 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.751 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 74.5 mmtt -60.81 -45.14 95.59 Favored 'General case' 0 C--O 1.23 0.078 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.607 -177.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.641 HG13 HD13 ' B' ' 845' ' ' LEU . 1.4 mt -63.86 -38.13 81.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.899 177.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 661' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 51.7 mt-30 -65.36 -39.53 92.46 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -63.23 -40.13 96.58 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.089 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 663' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 23.6 mm-40 -61.12 -42.54 98.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.193 177.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 83.5 mt -56.49 -45.36 81.04 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 110.647 179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.27 -39.37 93.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.052 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.832 178.227 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.641 HD13 HG13 ' A' ' 660' ' ' ILE . 3.7 mp . . . . . 0 N--CA 1.456 -0.139 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -47.33 118.79 3.09 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.917 3.078 . . . . 0.0 113.944 -176.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 847' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' B' ' 850' ' ' MET . 22.3 t -55.66 -35.33 65.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.386 177.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -53.63 -39.92 65.39 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -174.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 26.7 mm -64.38 -39.21 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.451 ' HB2' ' O ' ' B' ' 847' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.115 174.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 13.5 p80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.038 0.446 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.455 HG13 HD23 ' A' ' 599' ' ' LEU . 46.0 t -130.03 129.23 65.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 167.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.8 t -96.54 163.53 12.99 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.56 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -62.99 -39.63 95.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.175 0.512 . . . . 0.0 109.877 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -58.16 -38.85 77.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.834 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.554 ' H ' HG23 ' A' ' 596' ' ' THR . 17.4 tp -55.46 -49.82 71.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.841 0.353 . . . . 0.0 110.447 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.425 ' HG2' ' OH ' ' A' ' 649' ' ' TYR . 38.1 mtm180 -65.12 -47.15 78.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.973 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 21.0 p -65.0 -39.68 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.463 0.173 . . . . 0.0 111.216 -176.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -55.64 -43.98 76.73 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.157 0.503 . . . . 0.0 110.251 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.457 HD13 ' CD1' ' A' ' 653' ' ' LEU . 46.7 mt -64.23 -36.42 84.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.147 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.18 -43.9 94.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.96 0.41 . . . . 0.0 110.269 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -62.19 -38.78 90.41 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.534 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -60.08 -40.5 89.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.684 0.278 . . . . 0.0 110.809 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.76 -45.26 87.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.891 178.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.533 HG13 HD11 ' A' ' 628' ' ' LEU . 99.1 t -58.6 -46.88 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.22 0.534 . . . . 0.0 110.606 175.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -55.45 -40.68 71.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.946 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.21 95.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.605 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 39.8 mt -78.61 -33.46 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.786 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -154.43 102.81 2.38 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.767 -172.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -81.86 -38.19 0.22 Allowed 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 122.161 1.907 . . . . 0.0 113.139 -175.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 22.9 p -73.11 111.39 11.38 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -81.2 68.73 8.15 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.078 2.519 . . . . 0.0 111.345 176.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 13.5 t70 -69.56 129.02 91.83 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.949 -178.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -56.15 -26.28 59.52 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.137 2.558 . . . . 0.0 113.715 -176.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -85.91 -47.61 9.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 619' ' ' ALA . . . . . 0.401 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -59.04 -30.88 68.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.47 176.166 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -31.28 72.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.178 0.513 . . . . 0.0 109.699 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -97.55 15.14 24.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.687 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -99.87 133.54 44.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 -176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 623' ' ' ARG . . . . . 0.429 ' HD3' ' OE1' ' A' ' 626' ' ' GLU . 34.4 mmt180 -56.68 -37.68 71.2 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.954 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -64.6 -38.84 92.38 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.637 -174.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.424 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 40.6 ttm -57.09 -39.41 74.96 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.923 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 626' ' ' GLU . . . . . 0.429 ' OE1' ' HD3' ' A' ' 623' ' ' ARG . 48.4 mt-10 -61.34 -38.38 86.69 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.631 0.253 . . . . 0.0 110.631 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -60.06 -42.49 94.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.533 HD11 HG13 ' A' ' 608' ' ' VAL . 0.7 OUTLIER -67.44 -38.88 85.21 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 625' ' ' MET . 78.4 t -65.52 -45.44 92.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.296 0.569 . . . . 0.0 109.785 178.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -60.47 -37.63 81.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.705 176.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -62.02 -39.17 91.37 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.71 99.35 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.779 0.323 . . . . 0.0 110.185 176.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.694 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 30.2 mmtp -55.24 -49.42 72.07 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.488 0.661 . . . . 0.0 111.605 172.162 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -54.79 -45.02 74.25 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.286 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.488 ' O ' ' HG2' ' A' ' 639' ' ' MET . 9.2 t -56.62 -51.45 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.124 175.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.694 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 1.5 pp20? -56.42 -39.69 73.47 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 120.617 0.246 . . . . 0.0 110.922 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.42 -48.49 73.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.386 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.45 -42.34 96.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 111.056 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 24.2 mmt -57.77 -39.19 76.86 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.298 177.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -51.57 -37.05 47.96 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.7 0.625 . . . . 0.0 111.773 -173.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.53 -50.27 63.76 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.798 178.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 642' ' ' SER . . . . . 0.515 ' C ' ' H ' ' A' ' 644' ' ' ASN . 2.9 t -66.03 -37.68 86.49 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.893 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 643' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 645' ' ' SER . . . -55.84 21.61 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.813 1.645 . . . . 0.0 114.82 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.515 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.8 t30 -79.41 23.23 0.4 Allowed 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.623 0.725 . . . . 0.0 109.677 -175.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 645' ' ' SER . . . . . 0.409 ' H ' ' C ' ' A' ' 643' ' ' ALA . 70.4 m -159.92 134.89 7.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -54.76 -51.08 66.8 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -171.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -63.46 -40.97 98.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.296 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.601 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 43.9 tt0 -59.34 -46.5 88.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.398 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 649' ' ' TYR . . . . . 0.425 ' OH ' ' HG2' ' A' ' 600' ' ' ARG . 2.6 t80 -55.9 -49.69 72.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.245 -177.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -65.41 -38.79 90.99 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -65.33 -42.69 92.65 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.552 -177.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 83.1 mt -60.3 -49.45 77.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.869 -175.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.457 ' CD1' HD13 ' A' ' 603' ' ' LEU . 8.0 mt -64.68 -48.93 72.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.212 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.86 96.31 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.767 0.318 . . . . 0.0 111.758 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 655' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 25.3 tt0 -63.75 -42.01 97.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.152 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.571 ' CG ' HD11 ' B' ' 845' ' ' LEU . 23.3 ttmm -60.87 -44.33 97.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 177.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 653' ' ' LEU . 79.0 mt -64.07 -42.49 95.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -61.6 -37.99 85.96 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 75.0 mmtt -59.22 -47.52 85.05 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.765 0.317 . . . . 0.0 110.292 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.578 HG12 ' SD ' ' B' ' 850' ' ' MET . 0.2 OUTLIER -61.74 -37.52 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.737 177.694 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -65.0 -42.36 94.57 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -65.91 -40.59 91.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.835 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -62.45 -43.52 98.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.126 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 85.2 mt -61.27 -49.03 78.73 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.166 0.291 . . . . 0.0 111.2 -178.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.27 -38.99 91.99 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.32 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.014 177.812 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.571 HD11 ' CG ' ' A' ' 656' ' ' LYS . 6.3 mp . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.39 0.138 . . . . 0.0 110.687 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.62 135.57 56.21 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.411 2.74 . . . . 0.0 112.889 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 32.5 t -55.43 -37.33 67.53 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.073 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.28 -47.58 69.04 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -172.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 22.3 mm -65.23 -39.86 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.048 0.452 . . . . 0.0 110.071 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.578 ' SD ' HG12 ' A' ' 660' ' ' ILE . 10.8 mmt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.603 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.7 p80 . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.447 HG13 HD23 ' A' ' 599' ' ' LEU . 54.9 t -139.14 131.69 37.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 118.336 0.516 . . . . 0.0 110.204 174.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 599' ' ' LEU . 4.9 t -95.48 159.4 15.01 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.626 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -62.34 -39.74 94.1 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.066 0.46 . . . . 0.0 110.213 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -57.25 -40.53 77.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.851 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.554 ' H ' HG23 ' A' ' 596' ' ' THR . 21.0 tp -56.02 -50.31 71.26 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.845 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.505 ' HD3' ' OE1' ' A' ' 636' ' ' GLU . 66.5 mtt-85 -59.14 -50.53 73.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.113 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 37.4 m -64.42 -33.94 77.04 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -65.64 -49.08 69.97 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-O 121.251 0.548 . . . . 0.0 109.761 -174.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.479 HD13 ' CD1' ' A' ' 653' ' ' LEU . 35.9 mt -61.61 -39.01 89.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.439 -179.064 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 600' ' ' ARG . 53.0 t -59.22 -41.53 84.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 111.021 179.354 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -63.72 -38.03 89.56 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.612 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.3 -40.68 97.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.684 0.278 . . . . 0.0 110.744 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.11 -49.2 70.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.116 176.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 80.9 t -55.49 -43.49 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.082 174.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -56.6 -40.25 74.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.057 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.53 87.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 24.3 mt -79.47 -37.53 18.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.745 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -143.15 92.24 6.83 Favored Pre-proline 0 N--CA 1.451 -0.398 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -170.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -76.8 -35.58 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 121.947 1.765 . . . . 0.0 112.726 -174.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 23.1 p -63.61 111.01 4.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -176.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -82.2 73.18 5.78 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.101 2.534 . . . . 0.0 111.57 177.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 15.6 t70 -88.7 127.46 56.18 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.939 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -57.1 -32.15 92.44 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.357 2.705 . . . . 0.0 113.636 -175.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.61 -44.29 13.64 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 619' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -56.61 -29.9 62.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.305 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -30.02 71.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.088 0.47 . . . . 0.0 110.378 177.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -103.29 18.38 21.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.2 0.524 . . . . 0.0 110.481 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 622' ' ' ASP . . . . . 0.57 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 4.0 t70 -95.91 133.78 39.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.397 -173.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 623' ' ' ARG . . . . . 0.412 ' NH1' ' HG2' ' A' ' 626' ' ' GLU . 27.3 mmm180 -61.04 -39.31 89.34 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.083 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.57 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 20.4 ttp180 -55.08 -48.31 73.71 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 122.382 0.273 . . . . 0.0 110.727 175.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.555 ' O ' HG23 ' A' ' 629' ' ' VAL . 39.8 ttm -64.21 -40.44 96.08 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.052 175.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 626' ' ' GLU . . . . . 0.412 ' HG2' ' NH1' ' A' ' 623' ' ' ARG . 8.0 tp10 -60.74 -40.25 91.72 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -174.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -64.15 -41.73 97.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.566 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.0 OUTLIER -67.31 -38.76 85.47 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.086 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 625' ' ' MET . 88.4 t -64.57 -39.88 87.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.171 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -55.96 -39.19 71.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.402 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -65.05 -36.93 85.93 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.546 ' O ' ' HB ' ' A' ' 635' ' ' VAL . . . -59.13 -37.64 77.74 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.169 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.563 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -63.73 -40.8 97.63 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.853 176.265 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -57.86 -38.04 75.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.818 0.342 . . . . 0.0 110.16 176.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.592 ' O ' ' HG2' ' A' ' 639' ' ' MET . 5.4 t -54.32 -49.62 62.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.977 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.563 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.0 OUTLIER -56.0 -38.57 70.66 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 178.363 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.57 -48.69 75.49 Favored Glycine 0 C--O 1.227 -0.288 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.641 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.71 -42.85 97.88 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.688 0.28 . . . . 0.0 111.664 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 19.7 mmt -59.62 -36.94 77.33 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.276 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -48.47 -37.62 17.84 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.728 -1.124 . . . . 0.0 113.121 -170.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -65.35 -53.16 47.61 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.051 0.841 . . . . 0.0 110.765 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 642' ' ' SER . . . . . 0.464 ' C ' ' H ' ' A' ' 644' ' ' ASN . 69.8 m -66.95 -39.11 87.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.676 177.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -58.83 20.02 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.464 ' H ' ' C ' ' A' ' 642' ' ' SER . 66.4 t30 -68.97 0.69 4.17 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.928 0.394 . . . . 0.0 110.519 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 45.1 p -137.42 150.46 47.66 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -57.78 -50.35 73.54 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.622 0.231 . . . . 0.0 111.622 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.47 -42.56 96.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.432 -175.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.499 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.6 tp10 -59.64 -41.89 91.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.612 -178.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -47.72 80.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.059 -175.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -64.16 -39.54 94.24 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.059 0.457 . . . . 0.0 110.88 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -65.52 -46.87 77.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.324 -172.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 39.8 mt -59.35 -49.94 75.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.307 -178.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.479 ' CD1' HD13 ' A' ' 603' ' ' LEU . 10.6 mt -60.88 -46.85 88.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.926 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.89 84.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.744 0.307 . . . . 0.0 111.613 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -63.37 -49.02 75.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.577 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.506 ' HG2' HD11 ' B' ' 845' ' ' LEU . 31.3 ttmt -65.55 -40.21 92.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.457 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 653' ' ' LEU . 78.5 mt -64.44 -40.48 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.641 0.258 . . . . 0.0 110.831 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -61.9 -37.17 83.64 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 656' ' ' LYS . 72.8 mmtt -55.7 -45.13 77.91 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-O 120.873 0.368 . . . . 0.0 110.41 177.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.609 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 0.1 OUTLIER -59.0 -38.34 73.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.034 177.692 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -65.78 -38.47 89.1 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.993 0.425 . . . . 0.0 110.06 -176.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -65.17 -46.99 78.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.451 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -65.2 -44.72 87.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.586 -177.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 89.7 mt -58.89 -44.95 91.3 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.735 0.302 . . . . 0.0 110.285 178.226 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -60.21 -42.37 94.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.302 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.295 -177.222 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.506 HD11 ' HG2' ' A' ' 656' ' ' LYS . 5.7 mp . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.28 129.91 10.86 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.831 3.021 . . . . 0.0 113.494 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 36.9 p -54.35 -36.83 64.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.982 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -54.62 -47.98 72.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.785 -178.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 28.0 mm -65.67 -40.85 89.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.038 0.447 . . . . 0.0 110.462 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.243 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.601 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.526 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.46 HG13 HD23 ' A' ' 599' ' ' LEU . 42.9 t -128.82 131.4 68.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 O-C-N 121.846 -0.534 . . . . 0.0 111.056 175.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.528 HG23 ' H ' ' A' ' 599' ' ' LEU . 4.3 t -95.92 161.75 13.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.826 176.038 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -64.49 -39.73 94.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.521 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -56.23 -38.84 71.61 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.878 177.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.528 ' H ' HG23 ' A' ' 596' ' ' THR . 14.0 tp -54.55 -45.71 73.51 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.056 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -64.25 -49.64 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.375 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 50.6 p -64.72 -40.34 95.17 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.565 -173.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -58.13 -42.52 85.97 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.052 0.453 . . . . 0.0 110.354 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.452 HD13 HD13 ' A' ' 653' ' ' LEU . 36.5 mt -64.12 -37.41 87.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.844 178.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.23 -43.1 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.763 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -64.34 -39.86 94.72 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.145 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -62.58 -39.93 95.26 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.406 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.52 -48.03 83.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.121 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 90.8 t -61.26 -44.75 98.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 176.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.34 -39.36 72.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.852 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.1 84.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.588 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 25.2 mt -83.85 -32.41 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.743 -175.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -156.73 93.11 2.4 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -176.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 613' ' ' PRO . . . . . 0.432 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 42.6 Cg_endo -74.54 -32.38 6.2 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 121.95 1.767 . . . . 0.0 113.676 -169.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 23.6 p -81.8 108.68 11.85 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 3.7 Cg_exo -79.6 73.15 6.15 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.128 2.552 . . . . 0.0 111.521 177.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.34 127.82 93.54 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.249 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.44 -26.25 52.72 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.299 2.666 . . . . 0.0 113.861 -175.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.05 -51.99 7.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.187 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -57.77 -28.04 63.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.343 175.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -29.09 69.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.044 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -104.35 15.9 27.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.313 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -90.49 127.0 36.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.067 0.461 . . . . 0.0 109.888 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -56.62 -37.02 70.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.47 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -61.75 -38.97 89.94 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.227 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.43 ' O ' HG23 ' A' ' 629' ' ' VAL . 41.3 ttm -57.39 -37.91 73.42 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.765 175.332 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -58.21 -39.28 78.62 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.67 -40.18 86.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.337 177.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -38.78 84.13 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.491 177.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.637 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 89.0 t -63.29 -45.19 98.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.599 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.24 93.22 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.639 176.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -58.05 -41.35 83.12 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.08 79.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.844 0.354 . . . . 0.0 110.396 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.665 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 40.3 mmtm -54.88 -51.88 64.57 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.186 175.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -56.22 -47.69 77.93 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.602 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.528 ' O ' ' HG2' ' A' ' 639' ' ' MET . 12.8 t -56.53 -51.12 69.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.467 175.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.665 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.2 OUTLIER -58.65 -39.05 79.48 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.599 -179.553 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.45 -47.6 82.48 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.58 177.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -64.9 -46.49 81.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.675 0.274 . . . . 0.0 110.478 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.528 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.7 mmt -55.78 -36.06 66.95 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.912 177.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -52.3 -37.39 55.61 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.649 -176.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.28 -45.26 77.14 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.411 0.624 . . . . 0.0 110.31 176.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 642' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 644' ' ' ASN . 0.6 OUTLIER -63.44 -35.94 82.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.526 178.407 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.49 23.52 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.028 1.731 . . . . 0.0 115.036 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.481 ' H ' ' C ' ' A' ' 642' ' ' SER . 62.3 t30 -69.2 -0.46 6.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.835 0.35 . . . . 0.0 110.649 -175.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 27.6 p -148.89 145.46 27.46 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.186 174.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -55.36 -50.92 68.43 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -173.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -61.7 -42.94 99.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.08 -176.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.498 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 44.7 tt0 -61.23 -44.97 96.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.671 -178.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -56.72 -49.8 74.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.357 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.426 ' OH ' HD11 ' A' ' 599' ' ' LEU . 37.3 m-85 -67.39 -39.49 85.61 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 121.005 0.431 . . . . 0.0 110.704 -176.548 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -65.94 -43.12 88.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.738 -174.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 80.7 mt -62.42 -49.0 77.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.187 -177.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.504 ' O ' HG13 ' A' ' 657' ' ' ILE . 7.7 mt -63.65 -45.79 88.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 178.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.85 99.46 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.558 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -61.07 -40.44 93.68 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.43 ' O ' HG13 ' A' ' 660' ' ' ILE . 57.4 tttp -61.36 -43.89 98.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.096 176.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 653' ' ' LEU . 74.4 mt -62.77 -43.99 99.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 0.0 110.46 -178.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -65.07 -38.89 92.26 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -55.9 -48.55 75.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.049 0.452 . . . . 0.0 110.21 174.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.511 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 86.2 mt -59.76 -49.41 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.775 177.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -59.3 -38.32 79.94 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -62.48 -45.48 92.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.259 177.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -64.62 -38.92 92.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.814 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 90.8 mt -61.43 -40.92 96.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.161 0.505 . . . . 0.0 110.253 176.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.06 -41.69 86.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.297 0.57 . . . . 0.0 110.026 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.606 -177.12 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 845' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.748 0.309 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -73.39 171.5 17.57 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.866 2.377 . . . . 0.0 112.678 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 16.6 m -55.63 -50.35 70.41 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -168.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.7 -40.73 95.87 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -170.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 25.6 mm -63.84 -41.59 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.279 0.561 . . . . 0.0 109.755 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.419 ' CE ' ' HA ' ' B' ' 850' ' ' MET . 3.2 mmt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.401 176.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 121.05 0.453 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.549 HG13 HD23 ' A' ' 599' ' ' LEU . 72.9 t -134.36 132.83 55.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.831 -0.804 . . . . 0.0 108.831 169.211 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.517 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.2 t -91.96 156.58 17.34 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.791 0.329 . . . . 0.0 110.83 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -64.37 -38.39 90.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.01 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.53 -38.8 69.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.356 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.549 HD23 HG13 ' A' ' 595' ' ' VAL . 15.9 tp -58.09 -49.89 75.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.619 177.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -64.91 -46.67 80.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.461 -178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 23.2 p -63.44 -40.47 97.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.268 -175.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -39.42 94.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.018 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.511 HD13 ' CD1' ' A' ' 653' ' ' LEU . 39.7 mt -65.07 -38.0 89.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.755 -178.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.68 -45.71 96.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.886 0.375 . . . . 0.0 110.612 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -62.53 -38.36 89.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.514 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -60.31 -40.65 91.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.743 0.306 . . . . 0.0 110.963 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.25 -41.08 94.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.058 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.512 HG13 HD11 ' A' ' 628' ' ' LEU . 70.2 t -61.55 -44.04 97.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.984 0.421 . . . . 0.0 110.197 174.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.1 -38.82 73.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.685 177.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.418 ' HB1' HG21 ' A' ' 660' ' ' ILE . . . -58.61 -39.18 79.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.76 178.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.403 HG13 ' CD1' ' A' ' 660' ' ' ILE . 23.7 mt -82.79 -35.14 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.355 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -155.55 101.93 2.2 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 -172.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -80.77 -31.9 1.29 Allowed 'Trans proline' 0 CA--C 1.528 0.219 0 C-N-CA 122.087 1.858 . . . . 0.0 112.981 -175.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 22.6 p -81.52 110.8 20.8 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -176.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -79.01 77.64 4.02 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.001 2.467 . . . . 0.0 111.619 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.634 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 14.3 t70 -71.11 129.15 89.66 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.892 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.94 -26.56 49.65 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.51 2.807 . . . . 0.0 113.839 -175.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -92.78 -47.06 7.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.937 0.399 . . . . 0.0 110.423 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 619' ' ' ALA . . . . . 0.634 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.58 -28.72 63.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.742 178.041 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -33.22 71.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.092 0.472 . . . . 0.0 110.732 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -100.94 18.3 19.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.111 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 622' ' ' ASP . . . . . 0.472 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 16.5 t70 -94.67 130.11 41.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.189 0.518 . . . . 0.0 111.153 -174.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 623' ' ' ARG . . . . . 0.437 ' O ' ' HB3' ' A' ' 626' ' ' GLU . 26.8 mmt180 -59.98 -38.85 83.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.117 -178.594 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.472 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 10.2 ttp180 -57.22 -46.61 82.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.96 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.508 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 41.1 ttm -60.21 -37.79 81.35 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.571 0.224 . . . . 0.0 110.838 175.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 626' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 623' ' ' ARG . 14.1 tp10 -54.75 -39.49 68.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.849 -177.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -59.04 -44.28 91.75 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.312 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.512 HD11 HG13 ' A' ' 608' ' ' VAL . 0.9 OUTLIER -67.76 -38.43 83.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.381 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.498 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 60.1 t -64.43 -40.92 90.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.846 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -58.9 -39.01 80.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.164 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 631' ' ' TYR . . . . . 0.491 ' HE2' HD23 ' B' ' 845' ' ' LEU . 42.6 t80 -64.44 -38.29 90.5 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 178.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.33 95.28 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.931 0.396 . . . . 0.0 110.084 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 629' ' ' VAL . 33.0 mmtm -55.71 -50.77 69.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.586 0.707 . . . . 0.0 111.41 172.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -55.22 -42.42 73.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.804 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.565 ' O ' ' HG2' ' A' ' 639' ' ' MET . 20.1 t -55.52 -48.49 77.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 175.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -55.97 -45.4 78.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.618 0.247 . . . . 0.0 110.673 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.05 -49.18 74.02 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.546 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.97 -46.1 86.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.963 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.565 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.6 mmt -62.65 -36.02 81.5 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.876 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -50.17 -37.91 37.03 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 123.631 0.582 . . . . 0.0 111.598 -175.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.77 -49.81 64.71 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.135 0.493 . . . . 0.0 110.64 176.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 642' ' ' SER . . . . . 0.498 ' C ' ' H ' ' A' ' 644' ' ' ASN . 4.2 t -64.81 -37.43 87.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.169 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.53 21.09 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.498 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.8 t30 -79.94 17.51 0.96 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.211 0.529 . . . . 0.0 109.834 -176.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 37.4 p -158.92 137.95 11.28 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 172.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -54.45 -50.45 67.66 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -169.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.55 -40.34 96.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.156 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.574 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 22.8 tt0 -62.07 -45.68 92.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.356 -178.29 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -55.96 -49.98 72.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.16 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -65.31 -39.2 92.18 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 120.537 0.208 . . . . 0.0 111.519 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -65.74 -42.8 90.57 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.788 -173.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 67.8 mt -62.55 -50.52 71.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.367 -176.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.511 ' CD1' HD13 ' A' ' 603' ' ' LEU . 9.7 mt -64.7 -47.35 78.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.25 -178.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.79 88.17 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.464 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -62.05 -42.94 99.71 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.369 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -60.29 -40.69 91.36 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.398 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 653' ' ' LEU . 58.9 mt -62.31 -42.97 97.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.282 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.11 -38.14 89.72 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.391 175.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 32.8 mmtp -57.79 -45.58 85.83 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 176.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.577 ' CD1' HD22 ' B' ' 845' ' ' LEU . 0.3 OUTLIER -59.11 -39.9 79.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 175.014 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -65.04 -39.72 93.75 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -65.53 -41.27 93.26 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.426 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 663' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 19.6 mm-40 -65.11 -49.31 70.47 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.896 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.19 -40.49 85.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.538 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -64.98 -49.61 69.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 174.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.655 -172.751 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.577 HD22 ' CD1' ' A' ' 660' ' ' ILE . 5.0 mp . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -46.1 130.65 13.7 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 124.195 3.263 . . . . 0.0 114.107 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.0 t -55.7 -38.91 70.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.351 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -60.6 -38.95 86.36 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.874 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 34.7 mm -64.64 -38.7 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 120.945 0.403 . . . . 0.0 110.164 176.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 31.2 mmt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.216 177.317 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.238 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.05 -67.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.485 0.66 . . . . 0.0 110.255 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.29 -15.76 8.57 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.292 177.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -114.0 100.25 8.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.993 176.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -161.26 67.62 0.25 Allowed Glycine 0 N--CA 1.438 -1.209 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.62 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.93 -52.27 6.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.416 0.627 . . . . 0.0 109.814 178.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -7.77 54.97 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.276 -0.874 . . . . 0.0 112.666 -171.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 594' ' ' HIS . 6.0 pt-20 -53.21 -42.63 66.52 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -169.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.462 ' N ' ' HG3' ' A' ' 593' ' ' GLU . 31.0 p80 -62.13 1.01 0.34 Allowed 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.525 HG13 HD23 ' A' ' 599' ' ' LEU . 87.7 t -136.3 131.91 48.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 170.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.618 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.1 t -89.27 153.43 20.91 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.206 178.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.85 -39.54 81.59 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.85 -40.7 89.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.113 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.618 ' H ' HG23 ' A' ' 596' ' ' THR . 23.6 tp -56.1 -49.93 72.46 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 120.914 0.388 . . . . 0.0 110.495 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -64.0 -48.99 74.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.293 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 15.6 p -64.83 -40.12 94.67 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.552 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -60.38 -49.36 77.88 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.24 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.444 HD13 HD13 ' A' ' 653' ' ' LEU . 89.2 mt -65.56 -38.44 89.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.737 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.444 HG11 ' CD ' ' A' ' 633' ' ' LYS . 37.9 t -63.87 -45.02 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.351 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -64.79 -39.72 94.06 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -57.56 -41.54 81.22 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.574 175.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.63 -49.89 74.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.859 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 89.5 t -58.87 -47.48 89.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.107 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -60.19 -39.43 86.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.19 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.74 -38.94 73.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.13 0.491 . . . . 0.0 110.416 175.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.426 HD11 HD11 ' B' ' 845' ' ' LEU . 33.7 mt -77.0 -31.58 18.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.558 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -155.71 97.57 2.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -175.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -81.06 -33.5 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.43 2.087 . . . . 0.0 113.726 -171.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 19.7 p -75.79 111.56 15.29 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.903 -0.135 . . . . 0.0 111.285 -176.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 4.2 Cg_exo -79.54 88.15 1.47 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.992 2.462 . . . . 0.0 112.129 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.428 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 30.1 t70 -82.35 123.42 79.1 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.754 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.88 -27.41 78.47 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.082 2.521 . . . . 0.0 113.467 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.69 -52.22 6.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.614 0.245 . . . . 0.0 110.406 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.428 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.45 -29.16 63.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.593 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.596 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -61.72 -31.98 72.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.348 0.594 . . . . 0.0 110.267 177.684 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -99.03 16.39 22.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.694 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -100.58 136.61 40.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.033 0.444 . . . . 0.0 110.566 -176.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -56.05 -38.07 70.11 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.503 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -61.92 -40.73 96.49 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.736 0.303 . . . . 0.0 110.341 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.596 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 42.7 ttm -63.95 -38.81 92.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.167 175.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -63.45 -38.77 92.42 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.574 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -59.81 -40.49 88.57 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.999 0.428 . . . . 0.0 110.141 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -39.73 84.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.714 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 625' ' ' MET . 77.6 t -64.55 -42.14 94.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.156 0.503 . . . . 0.0 109.889 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.43 88.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.185 175.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.81 -38.93 87.08 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.334 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.97 98.4 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.733 0.302 . . . . 0.0 110.546 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.444 ' CD ' HG11 ' A' ' 604' ' ' VAL . 0.0 OUTLIER -64.21 -38.94 92.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.886 0.374 . . . . 0.0 110.83 174.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -56.81 -45.51 82.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.152 175.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.63 ' O ' ' HG2' ' A' ' 639' ' ' MET . 7.0 t -54.95 -46.61 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.893 172.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -55.73 -43.18 76.32 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.893 0.377 . . . . 0.0 110.604 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.27 -44.72 96.57 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.793 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.54 -42.15 95.91 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.631 -0.335 . . . . 0.0 111.787 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.63 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.9 mmt -62.95 -37.9 88.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.181 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.406 ' HA ' ' HB3' ' A' ' 643' ' ' ALA . 14.8 t80 -49.77 -37.29 29.23 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -169.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.0 -51.3 59.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.146 0.885 . . . . 0.0 110.754 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 642' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 644' ' ' ASN . 8.3 t -66.01 -39.87 90.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.579 177.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 643' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 645' ' ' SER . . . -57.58 20.17 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' A' ' 642' ' ' SER . 0.2 OUTLIER -75.6 26.65 0.11 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 118.294 0.497 . . . . 0.0 110.605 -177.234 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 645' ' ' SER . . . . . 0.455 ' H ' ' C ' ' A' ' 643' ' ' ALA . 68.6 m -161.09 143.67 12.51 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.358 0.663 . . . . 0.0 109.553 178.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -55.82 -50.8 69.54 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -173.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.0 -43.93 97.8 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 111.03 -176.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -56.01 -49.26 74.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.56 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -58.53 -49.15 78.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.559 -175.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.93 -40.68 91.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 110.415 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -67.06 -41.45 86.41 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.288 -173.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.643 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 63.4 mt -57.08 -52.28 65.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.425 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.444 HD13 HD13 ' A' ' 603' ' ' LEU . 6.6 mt -65.8 -49.72 67.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.504 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.26 95.24 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -57.63 -46.67 83.84 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.019 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.643 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 43.8 mmtm -64.29 -39.88 94.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.519 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 653' ' ' LEU . 72.8 mt -58.91 -45.62 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.748 0.308 . . . . 0.0 110.705 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -64.86 -39.47 93.6 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 3.9 tppp? -58.19 -48.82 79.14 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.647 175.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.44 HD13 ' CD1' ' B' ' 845' ' ' LEU . 88.6 mt -63.47 -41.97 94.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.864 -176.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -65.05 -39.48 93.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.255 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -65.38 -40.61 93.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.48 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 6.4 mm-40 -57.26 -48.61 78.43 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.234 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.435 HD21 ' SD ' ' B' ' 850' ' ' MET . 82.3 mt -60.24 -49.38 77.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.431 -177.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -65.9 -43.38 88.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 0.0 110.804 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 666' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 669' ' ' ARG . 38.0 tt0 -61.57 -50.33 73.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.753 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.416 ' HE3' ' HG ' ' B' ' 854' ' ' LEU . 56.0 pttt -65.94 -38.62 89.13 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.195 -178.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 668' ' ' ARG . . . . . 0.403 ' HD3' ' CD1' ' B' ' 854' ' ' LEU . 49.2 ttp180 -65.77 -14.68 61.82 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.834 0.826 . . . . 0.0 111.504 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' A' ' 666' ' ' GLU . 43.5 ttm180 -64.42 -30.56 71.6 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.003 176.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 33.0 t -91.2 9.87 29.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.237 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.522 ' O ' ' HB2' ' A' ' 672' ' ' LEU . 13.5 ptm180 -54.62 156.16 3.68 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.775 -0.193 . . . . 0.0 110.692 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 672' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' A' ' 671' ' ' ARG . 56.1 mt . . . . . 0 C--O 1.245 0.862 0 O-C-N 123.968 0.793 . . . . 0.0 110.348 -172.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 CA--C 1.518 -0.254 0 CA-C-O 121.068 0.461 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -85.06 -10.63 56.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.413 0.625 . . . . 0.0 109.77 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 93.03 69.61 1.12 Allowed Glycine 0 N--CA 1.439 -1.114 0 CA-C-N 115.109 -0.95 . . . . 0.0 112.159 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 843' ' ' ASN . . . . . 0.427 ' HB3' ' HE2' ' A' ' 656' ' ' LYS . 13.1 m120 -66.81 -29.38 69.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.081 0.467 . . . . 0.0 110.304 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 4.0 mt -108.25 141.0 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 175.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.44 ' CD1' HD13 ' A' ' 660' ' ' ILE . 2.0 mt -77.88 134.12 64.94 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-O 120.818 0.342 . . . . 0.0 111.856 -172.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 846' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 845' ' ' LEU . 23.7 Cg_exo -63.89 162.39 29.05 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 123.091 2.527 . . . . 0.0 112.427 177.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 24.3 m -55.02 -49.21 72.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.89 -44.14 86.52 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -172.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 23.9 mm -65.16 -41.76 92.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.388 0.613 . . . . 0.0 110.013 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.492 ' HA ' ' HE2' ' B' ' 850' ' ' MET . 2.6 mmt -65.19 -38.97 92.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.112 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -57.01 -37.29 71.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.436 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -54.7 -49.0 71.76 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 123.03 0.206 . . . . 0.0 111.554 -175.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 6.7 p -65.01 -39.6 86.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.291 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 854' ' ' LEU . . . . . 0.416 ' HG ' ' HE3' ' A' ' 667' ' ' LYS . 3.6 mm? -63.41 -38.63 91.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -73.51 -25.23 60.34 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.105 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -93.47 128.99 39.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.135 0.493 . . . . 0.0 110.915 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 32.8 m -145.74 108.21 4.37 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.09 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 123.147 2.565 . . . . 0.0 112.618 -177.52 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 111.927 -0.469 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 34.2 m -102.43 158.85 4.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.454 ' HD2' ' C ' ' A' ' 588' ' ' ARG . 6.5 ppt_? -96.02 -6.01 39.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.094 0.473 . . . . 0.0 110.554 -177.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -118.87 101.28 7.94 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.31 0.576 . . . . 0.0 109.682 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -164.1 71.99 0.19 Allowed Glycine 0 N--CA 1.434 -1.438 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.43 ' HE3' ' H ' ' A' ' 592' ' ' HIS . 0.0 OUTLIER -82.47 -65.98 0.94 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.501 0.667 . . . . 0.0 110.55 -179.265 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 592' ' ' HIS . . . . . 0.43 ' H ' ' HE3' ' A' ' 591' ' ' TRP . 8.0 m80 -79.29 -13.76 59.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.875 -171.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -46.67 82.55 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -168.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.45 8.98 0.27 Allowed 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.43 HG13 HD23 ' A' ' 599' ' ' LEU . 97.4 t -138.98 133.83 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.628 HG23 ' H ' ' A' ' 599' ' ' LEU . 5.4 t -87.4 147.61 25.37 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 176.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -60.03 -38.37 82.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.421 0.629 . . . . 0.0 109.946 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -57.43 -39.74 76.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.901 177.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.628 ' H ' HG23 ' A' ' 596' ' ' THR . 17.8 tp -57.85 -50.36 73.56 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.861 0.362 . . . . 0.0 110.837 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.492 ' HD2' ' OE2' ' A' ' 636' ' ' GLU . 48.6 mtm180 -64.19 -48.14 77.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.079 -177.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 15.4 p -64.75 -40.02 94.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.632 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' HIS . . . . . 0.447 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 16.0 t-80 -57.53 -48.75 78.44 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.536 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 653' ' ' LEU . 30.7 mt -63.79 -37.63 88.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.189 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 608' ' ' VAL . 39.3 t -58.5 -47.67 87.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.519 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -64.95 -38.51 91.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.925 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 602' ' ' HIS . 28.0 mtpp -59.69 -40.49 88.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.983 0.42 . . . . 0.0 110.449 176.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 9.8 tt -63.54 -46.49 85.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.813 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.452 HG13 HD11 ' A' ' 628' ' ' LEU . 95.4 t -56.51 -43.76 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.972 172.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.23 -39.01 81.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.664 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.75 -39.76 92.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 28.2 mt -78.63 -33.44 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.541 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -147.14 88.95 5.69 Favored Pre-proline 0 N--CA 1.451 -0.422 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -173.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -74.59 -35.05 3.85 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 121.855 1.703 . . . . 0.0 112.939 -173.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 25.5 p -64.68 112.71 8.53 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.32 73.08 6.19 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.102 2.535 . . . . 0.0 111.591 177.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.436 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 26.8 t70 -90.13 126.48 56.89 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -57.74 -34.02 97.61 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.021 2.48 . . . . 0.0 113.251 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.49 -45.63 25.0 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.075 -0.391 . . . . 0.0 110.357 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.436 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.05 -33.01 66.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.336 176.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.455 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -61.17 -33.85 74.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.148 0.499 . . . . 0.0 110.798 177.227 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -103.38 18.12 22.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.795 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 622' ' ' ASP . . . . . 0.631 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 15.0 t0 -99.55 134.42 42.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.052 -175.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -54.91 -37.51 66.46 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.86 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.631 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 11.1 ttp180 -53.6 -49.19 68.32 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.087 0.242 . . . . 0.0 111.035 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.623 ' O ' HG23 ' A' ' 629' ' ' VAL . 50.3 ttm -64.95 -40.61 95.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.65 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.43 -39.17 93.32 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.598 0.237 . . . . 0.0 110.825 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -60.07 -47.13 87.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.747 177.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.2 pp -68.14 -37.75 81.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.382 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 625' ' ' MET . 97.8 t -64.54 -39.54 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 121.181 0.515 . . . . 0.0 110.079 177.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -55.88 -38.16 69.8 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.625 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -64.89 -37.35 87.33 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.501 ' O ' ' HB ' ' A' ' 635' ' ' VAL . . . -61.9 -39.79 93.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.943 0.402 . . . . 0.0 110.169 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -39.99 94.71 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.892 174.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 634' ' ' LYS . 13.2 tmtt? -57.69 -40.84 80.37 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.658 ' O ' ' HG2' ' A' ' 639' ' ' MET . 23.5 t -54.96 -50.46 62.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.619 175.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.492 ' OE2' ' HD2' ' A' ' 600' ' ' ARG . 10.8 tp10 -59.03 -48.57 81.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.726 0.298 . . . . 0.0 110.94 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.4 -45.38 96.3 Favored Glycine 0 C--N 1.328 0.12 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.355 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.22 -49.42 72.02 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 122.556 0.343 . . . . 0.0 111.485 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.658 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.8 mmt -59.38 -37.27 77.54 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.985 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.481 ' HA ' ' HB3' ' A' ' 643' ' ' ALA . 19.7 t80 -48.39 -36.26 14.31 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -170.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.81 -51.09 64.03 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 119.668 -0.813 . . . . 0.0 110.671 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 642' ' ' SER . . . . . 0.465 ' C ' ' H ' ' A' ' 644' ' ' ASN . 21.9 t -67.31 -40.17 85.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.126 176.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 643' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 640' ' ' TYR . . . -56.62 20.48 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.465 ' H ' ' C ' ' A' ' 642' ' ' SER . 36.6 t30 -69.68 -0.97 7.77 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 118.097 0.408 . . . . 0.0 110.495 -177.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 44.5 p -135.81 147.75 48.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.638 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -55.4 -50.04 70.78 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.49 -43.36 99.01 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.016 -176.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 6.7 tp10 -58.69 -48.09 82.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.19 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -55.61 -49.2 73.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.913 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -66.82 -40.47 88.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.144 0.497 . . . . 0.0 110.865 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -43.9 86.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.708 -173.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.514 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 93.4 mt -58.86 -49.33 78.15 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.027 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 603' ' ' LEU . 15.5 mt -64.7 -47.8 77.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.548 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.03 -49.09 74.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.693 0.283 . . . . 0.0 111.637 -176.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -60.94 -46.28 91.33 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.352 0.596 . . . . 0.0 110.031 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.62 ' HG3' HD11 ' B' ' 845' ' ' LEU . 0.1 OUTLIER -64.66 -44.78 89.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.937 -172.622 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.28 -41.19 91.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.772 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.49 -38.07 88.67 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.25 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' B' ' 843' ' ' ASN . 43.4 mmtm -57.43 -46.39 83.61 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.88 0.371 . . . . 0.0 110.828 177.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.796 HG13 HD13 ' B' ' 845' ' ' LEU . 0.8 OUTLIER -61.11 -37.91 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.91 177.315 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -64.62 -38.59 91.52 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -39.41 93.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.132 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 16.0 mm-40 -59.96 -40.81 90.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.85 174.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 63.1 mt -57.4 -43.18 83.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.954 0.407 . . . . 0.0 109.981 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -61.5 -48.5 80.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.482 176.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 666' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 669' ' ' ARG . 8.0 tp10 -63.27 -49.64 73.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.795 -174.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.544 ' HB2' ' HG ' ' B' ' 854' ' ' LEU . 27.3 mmtp -65.68 -41.4 92.49 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.94 -177.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -75.45 -15.98 60.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.947 0.88 . . . . 0.0 111.008 -178.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 666' ' ' GLU . 32.2 tpt180 -66.17 -26.72 67.54 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.364 175.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 7.8 t -73.64 11.4 0.83 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.309 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -59.23 139.47 56.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.813 0.339 . . . . 0.0 110.623 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 98.3 mt . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.039 179.574 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -84.79 -8.96 58.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.111 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 99.49 104.5 2.56 Favored Glycine 0 N--CA 1.439 -1.128 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.775 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 843' ' ' ASN . . . . . 0.484 ' O ' ' HG3' ' A' ' 659' ' ' LYS . 6.0 m-20 -63.65 -38.73 92.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.831 0.348 . . . . 0.0 110.108 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 14.3 mt -110.65 139.23 35.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.796 HD13 HG13 ' A' ' 660' ' ' ILE . 3.7 mp -91.63 153.83 44.01 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.894 -0.139 . . . . 0.0 110.871 -172.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -30.9 117.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 124.971 3.781 . . . . 0.0 114.511 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.9 m -55.42 -39.61 70.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.315 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -56.06 -44.56 79.0 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.365 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 26.9 mm -64.28 -42.13 94.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.039 0.447 . . . . 0.0 110.115 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.515 ' O ' HD23 ' B' ' 854' ' ' LEU . 0.0 OUTLIER -64.57 -44.97 89.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.496 177.632 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.34 -39.41 94.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 852' ' ' PHE . . . . . 0.426 ' CE2' ' HG3' ' A' ' 624' ' ' ARG . 12.0 t80 -61.1 -49.01 79.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.251 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 6.6 p -65.23 -40.94 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.763 0.316 . . . . 0.0 111.252 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 854' ' ' LEU . . . . . 0.544 ' HG ' ' HB2' ' A' ' 667' ' ' LYS . 2.7 mm? -62.28 -37.48 85.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.778 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -65.99 -19.09 65.74 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.735 0.302 . . . . 0.0 111.432 -175.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -116.23 156.01 27.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.899 0.38 . . . . 0.0 110.115 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 857' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' B' ' 858' ' ' PRO . 30.9 m -136.79 125.28 15.01 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 858' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 857' ' ' THR . 39.6 Cg_exo . . . . . 0 C--O 1.247 0.972 0 C-N-CA 122.877 2.385 . . . . 0.0 112.448 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.439 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 30.9 m -126.16 156.21 36.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 -174.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.429 ' HD2' ' C ' ' A' ' 588' ' ' ARG . 7.4 ppt_? -114.02 -6.65 13.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.703 0.287 . . . . 0.0 111.155 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -125.25 79.88 1.84 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 122.125 0.964 . . . . 0.0 110.253 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -157.66 60.46 0.33 Allowed Glycine 0 N--CA 1.438 -1.184 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.39 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.404 ' HE3' ' H ' ' A' ' 592' ' ' HIS . 0.0 OUTLIER -81.46 -60.54 2.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.56 0.695 . . . . 0.0 110.038 -176.492 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 592' ' ' HIS . . . . . 0.404 ' H ' ' HE3' ' A' ' 591' ' ' TRP . 26.1 m80 -97.92 2.71 49.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.903 -173.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' A' ' 595' ' ' VAL . 7.3 pt-20 -58.95 -29.87 67.46 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -174.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -70.32 20.5 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.973 0.416 . . . . 0.0 111.923 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.537 HG13 HD23 ' A' ' 599' ' ' LEU . 9.4 t -134.27 131.08 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 168.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.586 HG23 ' H ' ' A' ' 599' ' ' LEU . 5.4 t -88.72 154.83 19.98 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.234 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -64.26 -39.97 95.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.968 0.413 . . . . 0.0 109.943 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -55.89 -40.68 73.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.884 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.586 ' H ' HG23 ' A' ' 596' ' ' THR . 16.6 tp -56.28 -48.1 77.29 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.243 0.544 . . . . 0.0 110.273 177.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -64.41 -49.75 70.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.666 -174.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 8.8 p -66.08 -39.38 89.99 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.04 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -59.05 -45.92 89.55 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.034 0.445 . . . . 0.0 110.092 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.481 HD13 ' CD1' ' A' ' 653' ' ' LEU . 67.7 mt -63.85 -37.99 89.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.668 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.85 -42.2 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.889 0.376 . . . . 0.0 110.518 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -63.79 -38.91 92.86 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.17 -41.02 91.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.77 0.319 . . . . 0.0 110.851 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.54 -43.78 92.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.211 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.522 HG13 HD11 ' A' ' 628' ' ' LEU . 91.4 t -61.65 -43.98 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.102 0.477 . . . . 0.0 110.601 175.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -60.64 -38.63 85.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.897 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.8 83.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.654 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 23.2 mt -77.25 -31.54 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.684 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -150.28 99.81 3.21 Favored Pre-proline 0 C--N 1.326 -0.437 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.31 -174.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -79.6 -34.97 0.88 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.005 1.804 . . . . 0.0 113.294 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 7.5 p -81.11 112.0 28.97 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 5.6 Cg_exo -82.55 77.1 3.84 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.118 2.545 . . . . 0.0 111.787 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.45 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 30.1 t70 -74.15 126.53 89.08 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.838 177.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.88 -27.38 72.13 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.15 2.567 . . . . 0.0 113.7 -175.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -86.64 -50.07 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -56.9 -27.75 61.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.403 175.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.414 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -62.6 -30.36 71.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.753 178.543 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -101.97 16.28 26.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.705 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -99.73 136.84 39.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.26 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.81 -36.93 65.48 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.965 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.547 ' HG3' ' CE2' ' B' ' 852' ' ' PHE . 21.8 ttm-85 -53.89 -46.97 71.53 Favored 'General case' 0 C--O 1.233 0.185 0 O-C-N 123.07 0.232 . . . . 0.0 110.969 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.574 ' O ' HG23 ' A' ' 629' ' ' VAL . 51.0 ttm -65.1 -40.46 94.59 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.644 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.39 -38.93 91.48 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.749 0.309 . . . . 0.0 110.704 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -60.49 -44.68 95.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 177.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.0 OUTLIER -67.33 -37.74 83.8 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 178.411 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 625' ' ' MET . 80.9 t -63.04 -40.08 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.961 0.41 . . . . 0.0 110.069 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.471 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -55.92 -39.34 71.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.083 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.45 ' HE2' HD23 ' B' ' 845' ' ' LEU . 27.4 t80 -63.52 -36.93 85.39 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.383 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.89 -40.62 85.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.803 0.335 . . . . 0.0 110.321 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -40.37 94.96 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.892 175.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 75.3 mmtt -59.05 -41.61 88.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.258 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.68 ' O ' ' HG2' ' A' ' 639' ' ' MET . 11.5 t -54.78 -50.15 63.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.731 172.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -56.08 -44.15 78.68 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.54 -48.7 74.59 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.609 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.45 -46.74 84.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.76 0.28 . . . . 0.0 111.529 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.68 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.9 mmt -64.05 -37.72 88.47 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.002 -177.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -48.88 -38.05 21.45 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.122 0.889 . . . . 0.0 113.099 -167.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.33 -51.42 57.49 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.685 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 642' ' ' SER . . . . . 0.464 ' C ' ' H ' ' A' ' 644' ' ' ASN . 23.3 t -66.49 -38.86 88.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.299 177.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.29 20.51 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.464 ' H ' ' C ' ' A' ' 642' ' ' SER . 1.9 t30 -87.89 23.13 2.12 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 49.3 m -150.82 133.16 15.48 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.071 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -55.33 -51.63 66.13 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -170.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.37 -40.53 97.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.999 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.2 tp10 -59.13 -49.36 78.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.148 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -55.86 -48.67 75.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.158 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -63.61 -41.72 98.28 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 120.752 0.31 . . . . 0.0 111.567 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -66.2 -45.07 82.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.449 -172.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.663 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 80.7 mt -57.24 -50.01 74.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.044 -177.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.481 ' CD1' HD13 ' A' ' 603' ' ' LEU . 7.2 mt -64.94 -48.25 74.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.749 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.96 -45.22 78.93 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 123.107 0.254 . . . . 0.0 111.468 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -57.12 -45.7 83.23 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.703 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 46.6 mmtm -66.12 -41.59 90.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.549 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.13 -49.97 82.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 0.0 110.649 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -64.91 -37.78 88.77 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 0.7 OUTLIER -57.67 -49.3 76.95 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.816 0.341 . . . . 0.0 110.817 179.173 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.709 HG13 HD13 ' B' ' 845' ' ' LEU . 1.0 OUTLIER -62.44 -38.93 82.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 177.689 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -64.23 -38.09 89.81 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.183 0.516 . . . . 0.0 109.721 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -63.99 -40.62 96.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.026 177.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 25.1 mm-40 -63.91 -44.32 93.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.832 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 71.9 mt -55.62 -48.53 74.77 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.0 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.94 -40.39 96.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.714 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 666' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 669' ' ' ARG . 8.9 tp10 -64.43 -49.59 70.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.189 -176.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 0.7 OUTLIER -67.84 -37.5 81.97 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 178.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 668' ' ' ARG . . . . . 0.452 ' HA ' ' HB3' ' A' ' 671' ' ' ARG . 96.5 mtt180 -65.29 -3.01 3.48 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.258 0.552 . . . . 0.0 111.873 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 666' ' ' GLU . 42.7 ttp180 -46.08 -33.56 3.56 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.682 168.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 32.1 t -122.24 -31.02 3.91 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.931 171.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.452 ' HB3' ' HA ' ' A' ' 668' ' ' ARG . 14.0 ptm180 50.89 48.03 23.68 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.677 0.751 . . . . 0.0 111.993 168.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 C--O 1.248 0.997 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.077 179.575 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 121.184 0.516 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -105.03 14.87 28.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.832 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 94.04 161.71 35.31 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.331 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -85.42 17.07 3.33 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.37 0.605 . . . . 0.0 110.055 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 23.9 mt -115.03 142.74 26.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.145 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.709 HD13 HG13 ' A' ' 660' ' ' ILE . 2.8 mp -89.21 142.08 29.68 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 -176.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -46.37 126.02 9.65 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 124.105 3.204 . . . . 0.0 114.175 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 9.4 p -54.75 -35.98 64.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.412 -1.267 . . . . 0.0 111.11 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -52.92 -45.45 67.6 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.527 -175.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 37.3 mm -65.49 -39.72 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.509 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.493 ' O ' HD23 ' B' ' 854' ' ' LEU . 0.0 OUTLIER -62.25 -42.2 99.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.208 176.801 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.55 -39.41 94.35 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.86 172.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 852' ' ' PHE . . . . . 0.547 ' CE2' ' HG3' ' A' ' 624' ' ' ARG . 8.2 t80 -58.5 -46.65 86.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.949 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 3.6 p -67.05 -41.18 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.55 175.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 854' ' ' LEU . . . . . 0.493 HD23 ' O ' ' B' ' 850' ' ' MET . 2.6 mm? -59.39 -38.61 81.0 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.513 0.197 . . . . 0.0 111.229 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -90.98 33.99 0.93 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.181 0.515 . . . . 0.0 110.796 -176.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -93.44 162.02 14.14 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 122.076 -0.39 . . . . 0.0 110.425 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 15.5 m -154.38 74.87 5.94 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.953 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo . . . . . 0 C--O 1.249 1.038 0 C-N-CA 122.982 2.455 . . . . 0.0 111.994 -177.706 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.489 0 N-CA-C 113.833 0.293 . . . . 0.0 113.833 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 34.6 m -35.3 139.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 125.021 1.071 . . . . 0.0 112.342 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 588' ' ' ARG . 2.7 ppt_? -107.58 -9.07 15.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.728 -171.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -96.21 117.83 31.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.42 0.629 . . . . 0.0 109.308 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 590' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' A' ' 593' ' ' GLU . . . -179.46 67.92 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -175.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 -59.97 -40.76 90.19 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.135 -0.533 . . . . 0.0 112.399 -171.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -62.21 -17.84 59.38 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.161 0.801 . . . . 0.0 113.161 -171.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 590' ' ' GLY . 0.3 OUTLIER -91.06 -15.17 29.97 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -177.321 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -132.82 15.08 4.33 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.396 0.617 . . . . 0.0 110.973 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.41 HG13 HD23 ' A' ' 599' ' ' LEU . 55.3 t -136.98 134.1 47.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.394 172.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.561 HG23 ' H ' ' A' ' 599' ' ' LEU . 4.2 t -94.55 151.57 19.23 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.218 -177.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.415 ' OE1' ' HA ' ' A' ' 597' ' ' GLN . 7.0 tp60 -56.39 -40.46 74.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.28 0.562 . . . . 0.0 110.3 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.56 -39.0 79.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.628 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.601 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 17.8 tp -55.27 -51.77 65.58 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-O 120.613 0.244 . . . . 0.0 111.239 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 604' ' ' VAL . 78.9 mtm180 -58.86 -50.68 73.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.983 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 6.1 p -64.25 -38.59 91.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.846 0.355 . . . . 0.0 110.939 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -57.7 -49.25 77.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.171 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 33.4 mt -64.06 -40.11 95.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.506 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 600' ' ' ARG . 71.6 t -57.9 -49.31 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.565 0.221 . . . . 0.0 110.643 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -60.83 -39.6 89.64 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.961 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.11 -40.95 97.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.976 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.91 -45.26 86.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.539 HG13 HD11 ' A' ' 628' ' ' LEU . 54.4 t -55.88 -44.28 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.468 173.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.23 -39.83 80.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.34 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.461 ' HB1' HG21 ' A' ' 660' ' ' ILE . . . -62.61 -43.64 98.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.841 0.353 . . . . 0.0 110.811 178.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 43.8 mt -70.98 -33.15 50.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.953 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -156.73 91.99 2.47 Favored Pre-proline 0 CA--C 1.534 0.333 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -172.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -80.04 -9.2 14.23 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.676 2.251 . . . . 0.0 113.949 -171.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 28.5 p -99.38 109.73 55.86 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.032 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -75.44 55.32 4.14 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 123.131 2.554 . . . . 0.0 112.223 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.64 123.29 84.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.894 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -57.97 -40.05 81.05 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.25 2.633 . . . . 0.0 113.675 -173.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -68.4 -41.46 80.42 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.22 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.77 87.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.471 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.541 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -48.39 -32.64 7.89 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.59 170.469 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -97.93 16.73 20.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.668 0.27 . . . . 0.0 111.545 -177.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -94.69 137.3 33.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.014 0.435 . . . . 0.0 110.579 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -60.96 -35.89 77.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.154 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -61.47 -38.86 88.78 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.207 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.541 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 45.4 ttm -58.9 -37.87 77.6 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.926 175.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.51 -40.23 82.28 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -63.25 -43.52 97.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.891 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.539 HD11 HG13 ' A' ' 608' ' ' VAL . 0.6 OUTLIER -67.48 -39.72 85.26 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.614 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 625' ' ' MET . 92.1 t -59.65 -42.72 89.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.321 176.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.85 90.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.934 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -64.47 -41.24 96.61 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.604 0.24 . . . . 0.0 110.547 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.77 96.58 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.658 0.266 . . . . 0.0 110.584 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -60.96 -40.27 92.71 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.242 175.33 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -59.36 -41.48 89.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.109 0.48 . . . . 0.0 110.111 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.569 ' O ' ' HG2' ' A' ' 639' ' ' MET . 38.8 t -60.89 -49.98 82.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.323 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.586 ' O ' ' HB2' ' A' ' 640' ' ' TYR . 2.8 pt-20 -54.74 -38.67 67.44 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.04 -50.76 56.07 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.092 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.5 -46.29 83.61 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.989 0.423 . . . . 0.0 111.054 -177.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.571 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 17.3 mmt -62.56 -35.78 80.56 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.928 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.586 ' HB2' ' O ' ' A' ' 636' ' ' GLU . 6.2 t80 -47.89 -38.19 15.83 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.505 1.128 . . . . 0.0 112.437 -173.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -66.44 -50.32 63.77 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.638 0.654 . . . . 0.0 111.083 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 642' ' ' SER . . . . . 0.474 ' C ' ' H ' ' A' ' 644' ' ' ASN . 16.1 m -65.88 -38.62 89.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.569 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -48.1 20.62 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.474 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.8 t-20 -69.56 -5.09 22.07 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.635 -0.666 . . . . 0.0 110.181 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 18.6 m -139.16 141.98 38.0 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -49.15 73.55 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.061 0.226 . . . . 0.0 111.332 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -60.73 -42.3 97.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.971 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -60.33 -48.24 82.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.612 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.06 -48.74 77.82 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.534 -176.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -65.6 -37.23 86.04 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.584 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -63.78 -49.12 74.19 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.956 0.408 . . . . 0.0 110.191 -175.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.571 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 76.7 mt -58.07 -49.77 75.77 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.427 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' ' 657' ' ' ILE . 8.3 mt -65.73 -48.21 72.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.727 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.18 85.09 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -57.13 -47.91 79.97 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.413 177.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.401 ' HE3' ' CG2' ' A' ' 635' ' ' VAL . 23.1 ttmm -59.25 -40.65 86.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.798 178.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 653' ' ' LEU . 63.3 mt -65.82 -43.25 93.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.763 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -65.31 -38.58 90.63 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.036 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.584 ' HG3' ' O ' ' B' ' 843' ' ' ASN . 73.6 mmtt -57.37 -40.32 77.9 Favored 'General case' 0 CA--C 1.524 -0.043 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.78 175.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.699 HG13 HD13 ' B' ' 845' ' ' LEU . 0.1 OUTLIER -56.22 -38.58 55.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.378 173.783 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -67.31 -39.67 85.94 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.482 0.658 . . . . 0.0 109.315 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 662' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' A' ' 666' ' ' GLU . 28.8 tptp -65.36 -43.68 90.04 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.74 178.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.63 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 31.1 mt-10 -64.69 -45.61 85.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.387 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 96.1 mt -55.51 -40.18 71.43 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.084 0.469 . . . . 0.0 109.805 176.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.56 -49.49 76.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.852 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 666' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 662' ' ' LYS . 62.9 mm-40 -59.86 -41.76 92.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.014 -177.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 29.4 mmmt -59.4 -41.41 89.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.954 0.407 . . . . 0.0 110.692 -177.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -35.23 29.41 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.549 0.69 . . . . 0.0 110.432 -178.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.532 ' O ' ' HD3' ' A' ' 669' ' ' ARG . 2.5 tmt_? -71.64 -37.64 70.82 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.627 -173.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 13.9 t -61.96 -43.03 99.69 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.909 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -66.01 100.52 0.59 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 118.431 0.56 . . . . 0.0 110.956 169.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 55.9 mt . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.88 -0.581 . . . . 0.0 110.029 -179.581 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.46 0.648 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -91.85 4.22 53.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.934 0.873 . . . . 0.0 109.292 172.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 77.56 64.87 2.0 Allowed Glycine 0 N--CA 1.441 -0.992 0 CA-C-N 114.43 -1.259 . . . . 0.0 112.102 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 843' ' ' ASN . . . . . 0.584 ' O ' ' HG3' ' A' ' 659' ' ' LYS . 93.2 m-20 -61.92 -34.5 76.19 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 25.0 mt -118.98 140.02 44.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 171.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.699 HD13 HG13 ' A' ' 660' ' ' ILE . 5.8 mp -81.23 167.9 28.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 120.512 0.196 . . . . 0.0 110.486 -173.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.89 127.7 17.45 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.082 1.855 . . . . 0.0 111.424 172.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 50.7 m -54.76 -37.93 66.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.635 -176.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -56.77 -39.72 74.56 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.488 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.79 -40.3 88.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.435 0.636 . . . . 0.0 109.438 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.513 ' O ' HG12 ' B' ' 853' ' ' VAL . 32.3 mmt -64.58 -38.52 91.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.661 176.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.27 -40.09 70.6 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.07 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -60.98 -47.08 88.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.78 -176.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 853' ' ' VAL . . . . . 0.513 HG12 ' O ' ' B' ' 850' ' ' MET . 11.4 p -63.79 -38.4 82.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.87 -176.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.1 -39.22 92.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.823 0.344 . . . . 0.0 110.187 172.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -69.25 -40.03 78.12 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.066 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -92.46 149.64 21.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.06 0.457 . . . . 0.0 110.664 -174.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 66.5 m -137.75 97.01 10.32 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.582 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 C--O 1.25 1.098 0 C-N-CA 123.037 2.491 . . . . 0.0 111.631 178.341 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.633 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 587' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 589' ' ' LYS . 30.4 m -128.5 173.09 14.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.1 -0.55 . . . . 0.0 109.803 -178.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 588' ' ' ARG . 6.1 ppt_? -66.74 -4.79 9.83 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -175.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.431 ' H ' HG23 ' A' ' 587' ' ' VAL . 73.8 tttt -116.5 104.86 11.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.782 0.801 . . . . 0.0 109.629 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 151.92 63.45 0.01 OUTLIER Glycine 0 C--N 1.315 -0.615 0 CA-C-N 114.448 -1.251 . . . . 0.0 111.491 -174.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -56.97 3.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.54 0.686 . . . . 0.0 110.296 -175.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -92.51 4.96 52.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.577 -173.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -84.78 -14.68 47.42 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.889 0.699 . . . . 0.0 112.889 -167.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -131.13 18.67 4.95 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.914 -0.491 . . . . 0.0 111.552 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 38.9 t -143.53 135.21 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 122.255 0.222 . . . . 0.0 110.541 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.548 HG23 ' H ' ' A' ' 599' ' ' LEU . 8.0 t -94.08 165.24 12.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.649 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -64.16 -44.64 91.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.929 0.395 . . . . 0.0 110.456 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.36 -40.13 77.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.365 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.548 ' H ' HG23 ' A' ' 596' ' ' THR . 18.6 tp -55.63 -49.95 71.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.975 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.504 ' O ' HG23 ' A' ' 604' ' ' VAL . 36.6 mtm180 -62.01 -49.52 75.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.237 -176.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 9.8 p -65.3 -39.84 93.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.986 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -60.54 -45.88 92.25 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.527 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 56.2 mt -61.42 -37.54 83.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.233 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 600' ' ' ARG . 76.7 t -59.26 -41.34 83.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -64.29 -38.69 91.94 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -58.12 -42.08 85.0 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.689 176.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 8.8 tt -65.55 -50.04 66.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.29 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.402 HG13 HD11 ' A' ' 628' ' ' LEU . 99.5 t -56.12 -41.59 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.041 175.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -55.91 -40.01 72.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.744 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.74 93.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.62 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.4 mt -82.63 -30.66 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.641 0.258 . . . . 0.0 110.596 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -155.09 91.22 2.92 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.33 . . . . 0.0 110.362 -174.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -80.67 -35.21 0.58 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.153 1.902 . . . . 0.0 112.602 -176.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 22.9 p -62.27 114.13 10.82 Favored Pre-proline 0 C--N 1.33 -0.269 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.9 Cg_exo -79.52 75.14 5.21 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.072 2.515 . . . . 0.0 111.465 176.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.456 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 16.9 t70 -82.18 121.82 79.01 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.609 176.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.6 -25.77 79.96 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.144 2.562 . . . . 0.0 113.159 -175.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.19 -48.06 10.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.751 0.31 . . . . 0.0 110.18 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -58.71 -30.47 67.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.384 175.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -32.46 71.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.19 0.519 . . . . 0.0 110.024 177.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -100.15 16.85 22.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.18 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 622' ' ' ASP . . . . . 0.4 ' OD2' ' HB2' ' A' ' 624' ' ' ARG . 29.8 t70 -95.02 127.55 41.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.06 0.457 . . . . 0.0 110.497 -177.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -55.8 -37.31 68.46 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.911 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.4 ' HB2' ' OD2' ' A' ' 622' ' ' ASP . 2.1 mmp_? -64.13 -37.71 88.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.128 -0.229 . . . . 0.0 111.258 -177.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.4 ' O ' HG23 ' A' ' 629' ' ' VAL . 39.3 ttm -55.19 -38.02 67.82 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.642 176.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -56.36 -38.45 71.43 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.972 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -60.41 -44.21 95.94 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.989 0.423 . . . . 0.0 110.357 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.408 ' HG ' ' N ' ' A' ' 629' ' ' VAL . 0.1 OUTLIER -66.78 -40.76 88.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.621 -178.172 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.408 ' N ' ' HG ' ' A' ' 628' ' ' LEU . 52.1 t -65.77 -42.13 91.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 121.319 0.58 . . . . 0.0 110.075 178.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.25 92.75 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.836 177.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.401 ' O ' ' HB2' ' A' ' 634' ' ' LYS . 51.5 t80 -63.97 -38.14 90.0 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 176.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.64 77.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.274 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -39.93 92.54 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.106 174.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 631' ' ' TYR . 14.0 mptt -57.03 -46.85 82.07 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.737 0.303 . . . . 0.0 110.455 176.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.716 ' O ' ' HG2' ' A' ' 639' ' ' MET . 9.8 t -54.94 -50.34 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.779 175.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -57.02 -41.51 78.68 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.786 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.82 -47.77 79.41 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.727 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.46 -44.0 96.32 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.902 0.382 . . . . 0.0 111.301 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.716 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.6 mmt -57.61 -35.89 71.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.665 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -50.82 -35.41 32.13 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.293 -0.867 . . . . 0.0 113.205 -171.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.6 -50.85 69.65 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.953 0.797 . . . . 0.0 109.927 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 642' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 644' ' ' ASN . 14.9 m -65.15 -37.57 87.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.578 177.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -54.6 20.52 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.496 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.8 t-20 -68.31 -1.87 7.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.01 0.433 . . . . 0.0 110.092 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 55.6 p -142.0 145.2 34.17 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.986 175.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -55.46 -49.77 71.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.765 0.316 . . . . 0.0 111.652 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.66 -41.18 97.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.623 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.613 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 6.4 tp10 -59.96 -45.17 93.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.852 0.358 . . . . 0.0 110.266 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.64 -49.61 72.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.247 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -65.34 -38.77 91.13 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 122.517 0.327 . . . . 0.0 111.839 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -65.65 -42.85 90.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.858 0.361 . . . . 0.0 110.774 -176.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 63.6 mt -60.97 -50.48 73.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.95 -177.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.483 ' O ' HG13 ' A' ' 657' ' ' ILE . 9.1 mt -62.3 -45.58 92.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.912 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.86 -47.76 79.65 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.827 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -59.69 -46.99 87.39 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 29.8 mmtp -64.76 -38.67 91.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.077 -176.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 653' ' ' LEU . 83.4 mt -60.18 -43.2 92.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 176.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -64.44 -38.03 89.61 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -57.54 -47.39 82.14 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.943 0.401 . . . . 0.0 110.114 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.429 HG13 HD13 ' B' ' 845' ' ' LEU . 0.5 OUTLIER -63.83 -39.17 84.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.383 178.425 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -65.57 -40.09 92.39 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.215 0.531 . . . . 0.0 109.655 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -65.63 -39.64 91.69 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.043 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 24.4 mm-40 -56.62 -49.31 75.35 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.038 177.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.77 -42.41 97.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.328 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.3 -50.26 68.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.765 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -59.13 -50.17 75.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.872 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 17.3 ptpt -65.27 -40.98 94.6 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -175.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -80.09 -22.12 42.56 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.871 0.843 . . . . 0.0 111.001 -177.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -65.24 -27.83 68.93 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 114.581 -1.19 . . . . 0.0 109.659 174.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 26.4 t -92.02 -4.95 53.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.433 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -175.52 91.48 0.05 Allowed 'General case' 0 C--O 1.233 0.192 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -175.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 90.6 mt . . . . . 0 C--O 1.25 1.124 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.016 168.228 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 121.208 0.527 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -96.51 -6.16 37.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.674 0.75 . . . . 0.0 109.651 174.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 85.32 46.82 5.42 Favored Glycine 0 CA--C 1.498 -0.999 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.533 -177.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -75.06 -38.3 61.4 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 113.895 -1.152 . . . . 0.0 110.125 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 33.1 mt -135.87 137.76 48.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.429 HD13 HG13 ' A' ' 660' ' ' ILE . 5.5 mp -81.15 149.09 65.44 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 120.558 0.218 . . . . 0.0 111.232 -174.122 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 846' ' ' PRO . . . . . 0.413 ' O ' ' HG2' ' B' ' 850' ' ' MET . 68.2 Cg_exo -42.61 130.27 5.23 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 124.562 3.508 . . . . 0.0 114.493 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 34.2 m -60.92 -39.43 89.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.583 -1.19 . . . . 0.0 111.502 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -62.76 -40.27 96.74 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.446 -174.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 33.3 mm -63.47 -43.46 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' B' ' 846' ' ' PRO . 26.1 mmm -59.16 -38.7 80.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.992 175.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -63.74 -38.13 89.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.471 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.32 -44.22 75.63 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -176.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 3.5 p -65.07 -42.55 94.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.384 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.26 -37.7 88.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.501 0.191 . . . . 0.0 111.041 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -66.78 -22.29 66.03 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 110.663 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 856' ' ' ASN . . . . . 0.447 ' O ' ' HD3' ' B' ' 858' ' ' PRO . 9.3 t30 -93.57 134.43 35.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.882 0.372 . . . . 0.0 110.058 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 18.9 m -84.94 110.39 27.84 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.57 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 858' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' B' ' 856' ' ' ASN . 13.4 Cg_exo . . . . . 0 C--O 1.246 0.902 0 C-N-CA 122.888 2.392 . . . . 0.0 111.873 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.801 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 23.6 m -121.48 155.52 25.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.497 0.189 . . . . 0.0 110.649 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.431 ' HD2' ' C ' ' A' ' 588' ' ' ARG . 2.8 ppt_? -81.23 -15.15 56.45 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.196 0.522 . . . . 0.0 110.129 -178.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 589' ' ' LYS . 42.6 tttp -119.79 67.19 0.81 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.734 1.254 . . . . 0.0 108.128 177.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -143.13 48.82 0.75 Allowed Glycine 0 N--CA 1.438 -1.186 0 CA-C-N 113.783 -1.553 . . . . 0.0 112.387 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.95 -42.89 13.65 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 176.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -95.5 5.18 52.22 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.009 -176.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.7 -30.14 42.34 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -172.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -78.42 24.96 0.25 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.196 0.522 . . . . 0.0 111.723 176.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.617 HG13 HD23 ' A' ' 599' ' ' LEU . 12.7 t -134.72 131.91 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 168.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.634 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.7 t -88.37 154.13 20.63 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.322 177.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -63.01 -38.97 93.34 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -57.71 -39.94 78.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.895 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.634 ' H ' HG23 ' A' ' 596' ' ' THR . 16.9 tp -56.38 -47.47 78.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.262 0.553 . . . . 0.0 110.003 177.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.4 ' O ' HG23 ' A' ' 604' ' ' VAL . 78.8 mtt180 -64.92 -48.01 75.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.75 -177.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.9 p -64.33 -38.64 91.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.503 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -55.64 -45.59 77.6 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.668 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 653' ' ' LEU . 26.4 mt -64.6 -38.47 91.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.108 178.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 600' ' ' ARG . 55.4 t -64.13 -42.7 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.322 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -61.62 -40.31 94.4 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.321 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -64.16 -39.12 93.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.65 -43.54 93.3 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.633 HG13 HD11 ' A' ' 628' ' ' LEU . 73.4 t -59.08 -46.23 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.495 0.664 . . . . 0.0 109.943 174.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.45 -38.07 76.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.972 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.19 88.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.005 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 29.2 mt -78.44 -34.96 18.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -156.98 102.52 1.93 Allowed Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -175.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -77.47 -33.42 2.44 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.018 1.812 . . . . 0.0 113.14 -171.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 23.4 p -77.37 112.41 23.53 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.584 0.23 . . . . 0.0 111.579 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.9 Cg_exo -77.61 74.94 4.95 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.976 2.451 . . . . 0.0 111.194 176.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.512 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 18.1 t70 -70.62 124.56 91.12 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.023 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.414 ' O ' ' HE2' ' A' ' 621' ' ' LYS . 13.0 Cg_endo -57.46 -30.96 90.0 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.261 2.64 . . . . 0.0 113.237 -175.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.4 -48.04 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.512 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.44 -28.61 63.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.238 175.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.505 HD22 ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -61.07 -31.07 70.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.303 0.573 . . . . 0.0 109.636 178.318 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 621' ' ' LYS . . . . . 0.414 ' HE2' ' O ' ' A' ' 617' ' ' PRO . 46.9 mtmt -104.16 14.84 29.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.076 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -100.33 141.26 33.43 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 623' ' ' ARG . . . . . 0.542 ' HD3' ' OE2' ' A' ' 626' ' ' GLU . 27.6 mmt180 -55.53 -36.44 66.75 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.968 177.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.455 ' HG3' ' CD1' ' B' ' 852' ' ' PHE . 38.3 ttm180 -53.97 -49.98 67.54 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.466 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.533 ' O ' HG23 ' A' ' 629' ' ' VAL . 52.4 ttm -66.11 -39.05 89.63 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.001 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 626' ' ' GLU . . . . . 0.542 ' OE2' ' HD3' ' A' ' 623' ' ' ARG . 40.3 mt-10 -60.74 -40.55 92.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.585 0.231 . . . . 0.0 111.129 -175.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -62.51 -42.78 99.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.21 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.633 HD11 HG13 ' A' ' 608' ' ' VAL . 1.1 pp -67.61 -38.03 83.38 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 625' ' ' MET . 74.5 t -64.77 -41.52 92.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 121.304 0.574 . . . . 0.0 109.989 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -61.84 -38.38 87.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.842 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -63.23 -38.18 90.17 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.4 96.77 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.447 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -39.46 94.26 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.761 0.315 . . . . 0.0 110.905 174.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -56.49 -46.86 80.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.755 176.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.582 ' O ' ' HG2' ' A' ' 639' ' ' MET . 4.6 t -54.93 -47.11 76.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.23 173.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -56.03 -40.73 73.89 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.87 -50.01 66.93 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.98 -44.78 91.68 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.787 0.327 . . . . 0.0 111.336 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.6 mmt -64.65 -38.48 91.15 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.525 -178.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -52.97 -39.98 63.38 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.439 0.462 . . . . 0.0 111.352 -175.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -67.22 -46.81 72.69 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.387 0.613 . . . . 0.0 110.416 176.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 642' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 644' ' ' ASN . 9.3 m -64.11 -36.33 83.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.134 -0.939 . . . . 0.0 112.023 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.35 22.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 642' ' ' SER . 66.7 t30 -70.13 -2.25 12.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.074 0.464 . . . . 0.0 110.177 -176.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 38.2 p -145.95 140.6 27.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.922 174.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -54.81 -50.35 68.77 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -175.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.72 -40.42 87.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.226 -176.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -64.17 -46.62 83.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.783 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -55.38 -49.26 72.79 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.766 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -65.59 -40.07 92.29 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -66.98 -41.08 87.39 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.819 -174.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.537 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 80.8 mt -60.67 -49.83 75.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.048 -178.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 603' ' ' LEU . 11.5 mt -64.67 -44.04 91.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.153 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.13 -43.87 78.64 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -61.3 -40.81 95.53 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.339 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 0.2 OUTLIER -63.32 -45.49 91.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.043 -179.172 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.459 ' O ' ' HG3' ' A' ' 661' ' ' GLN . 65.5 mt -64.69 -43.57 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.778 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -64.53 -38.32 90.61 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.494 ' O ' ' HG3' ' A' ' 662' ' ' LYS . 1.7 tppp? -58.58 -44.95 89.94 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.014 0.435 . . . . 0.0 110.073 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.558 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 0.2 OUTLIER -65.21 -38.6 83.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.485 176.026 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 661' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 93.0 mt-30 -65.31 -41.58 93.91 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.667 -174.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 662' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 659' ' ' LYS . 0.0 OUTLIER -65.71 -36.66 84.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.332 176.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.639 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 11.3 mm-40 -61.93 -46.79 87.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.043 175.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 88.7 mt -55.47 -48.76 74.02 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 123.123 0.264 . . . . 0.0 111.302 -175.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -65.62 -38.16 88.63 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.639 0.257 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -64.07 -44.69 91.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.527 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.639 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 22.7 mmtp -66.32 -37.76 86.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.297 0.57 . . . . 0.0 109.85 177.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -58.91 -17.44 24.29 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.759 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -46.17 -37.26 6.8 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.57 175.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 97.6 p -101.59 -47.35 4.67 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.037 174.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 53.54 73.49 0.37 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.435 0.636 . . . . 0.0 110.611 176.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.348 176.848 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 . . . . . 0 CA--C 1.519 -0.217 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -104.6 36.79 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.604 -175.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 80.93 86.93 0.63 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.622 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -91.96 -58.87 2.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.181 0.515 . . . . 0.0 110.697 178.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 37.7 mt -127.65 143.96 39.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.465 HD22 ' CD1' ' A' ' 660' ' ' ILE . 5.4 mp -80.39 127.89 74.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 846' ' ' PRO . . . . . 0.44 ' HG2' HG12 ' B' ' 849' ' ' ILE . 30.3 Cg_endo -62.71 154.66 64.14 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 123.877 3.052 . . . . 0.0 114.951 -167.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 847' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' B' ' 850' ' ' MET . 19.8 m -55.07 -37.02 66.22 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 113.587 -1.642 . . . . 0.0 111.537 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -54.69 -48.98 71.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.45 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 849' ' ' ILE . . . . . 0.44 HG12 ' HG2' ' B' ' 846' ' ' PRO . 33.2 mm -65.66 -38.31 82.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.28 177.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.425 ' HB2' ' O ' ' B' ' 847' ' ' SER . 3.8 mmt -55.07 -39.63 69.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.335 174.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.12 -36.98 66.31 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.531 176.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 852' ' ' PHE . . . . . 0.455 ' CD1' ' HG3' ' A' ' 624' ' ' ARG . 21.0 m-30 -62.81 -50.35 71.34 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.173 -175.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 3.3 p -67.02 -41.39 87.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 120.677 0.275 . . . . 0.0 111.471 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.01 -38.25 90.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.356 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 855' ' ' LYS . . . . . 0.404 ' NZ ' ' HB2' ' B' ' 855' ' ' LYS . 0.1 OUTLIER -80.87 -0.25 38.17 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.794 0.331 . . . . 0.0 111.335 -174.862 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 856' ' ' ASN . . . . . 0.453 ' O ' ' HD3' ' B' ' 858' ' ' PRO . 45.5 t-20 -114.88 128.79 56.5 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 27.7 m -98.06 106.55 35.49 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.969 -177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 858' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' B' ' 856' ' ' ASN . 3.8 Cg_exo . . . . . 0 C--O 1.249 1.074 0 C-N-CA 122.801 2.334 . . . . 0.0 111.418 177.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.75 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 19.0 m -117.96 154.78 19.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.418 ' HD2' ' C ' ' A' ' 588' ' ' ARG . 5.6 ppt_? -105.57 -11.95 16.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.601 -178.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -67.58 129.13 38.95 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.139 0.495 . . . . 0.0 110.268 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 590' ' ' GLY . . . . . 0.747 ' O ' ' HG3' ' A' ' 593' ' ' GLU . . . -165.78 55.55 0.25 Allowed Glycine 0 N--CA 1.437 -1.267 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.442 ' HA ' ' NE2' ' A' ' 594' ' ' HIS . 5.3 m-90 -54.6 -44.25 72.88 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.865 0.364 . . . . 0.0 111.246 -175.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -73.66 -23.57 59.86 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.747 ' HG3' ' O ' ' A' ' 590' ' ' GLY . 0.1 OUTLIER -84.18 -17.53 39.63 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.748 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.442 ' NE2' ' HA ' ' A' ' 591' ' ' TRP . 29.4 p80 -106.04 38.75 1.94 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.311 -0.556 . . . . 0.0 111.495 174.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.463 HG13 HD23 ' A' ' 599' ' ' LEU . 53.7 t -133.97 132.85 56.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 170.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.509 HG23 ' H ' ' A' ' 599' ' ' LEU . 1.8 t -94.39 163.85 13.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.565 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -63.65 -40.26 96.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.388 0.613 . . . . 0.0 109.643 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.65 -38.39 78.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.098 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.529 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 18.8 tp -54.38 -49.66 69.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.083 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.537 ' HD3' ' CD1' ' A' ' 640' ' ' TYR . 38.9 mtm180 -65.41 -43.86 89.25 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 52.7 p -64.57 -39.27 93.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.258 0.551 . . . . 0.0 110.092 -178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -56.02 -49.1 74.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.238 176.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 76.2 mt -62.87 -38.58 91.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.04 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.3 -40.76 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.979 0.419 . . . . 0.0 110.634 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -62.42 -37.72 86.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.285 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -55.81 -44.67 78.06 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.98 -43.64 91.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.23 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.544 HG13 HD11 ' A' ' 628' ' ' LEU . 90.0 t -64.02 -43.35 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 177.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 609' ' ' GLN . . . . . 0.514 ' OE1' ' HA ' ' A' ' 613' ' ' PRO . 5.9 tp-100 -60.93 -40.48 93.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.271 -179.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.74 83.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.15 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 33.5 mt -76.24 -34.6 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.976 -174.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -156.69 95.34 2.24 Favored Pre-proline 0 C--N 1.33 -0.263 0 O-C-N 122.101 -0.374 . . . . 0.0 110.048 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 613' ' ' PRO . . . . . 0.514 ' HA ' ' OE1' ' A' ' 609' ' ' GLN . 55.3 Cg_endo -78.26 -30.03 3.64 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.157 1.905 . . . . 0.0 113.262 -173.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 25.6 p -75.23 111.75 15.27 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.0 Cg_exo -79.31 73.61 5.94 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.078 2.519 . . . . 0.0 111.503 177.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.442 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 18.2 t70 -70.09 127.86 92.01 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.837 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -56.09 -26.39 59.52 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.222 2.614 . . . . 0.0 113.366 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -86.32 -46.81 9.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.814 0.34 . . . . 0.0 110.163 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -59.42 -31.48 69.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.679 176.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -27.73 67.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.285 0.564 . . . . 0.0 110.239 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -99.75 16.1 24.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.343 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 622' ' ' ASP . . . . . 0.624 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 17.9 t70 -99.92 134.17 43.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.326 -175.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -63.3 -38.67 92.07 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.278 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.624 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 35.7 ttm180 -57.86 -39.96 79.02 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.865 -0.152 . . . . 0.0 111.054 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.52 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 41.5 ttm -58.49 -39.0 78.8 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.124 176.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.46 -38.11 79.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.624 0.249 . . . . 0.0 110.948 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -59.48 -41.8 90.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.443 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.544 HD11 HG13 ' A' ' 608' ' ' VAL . 0.9 OUTLIER -66.73 -38.93 87.65 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.557 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.56 -43.07 96.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.34 0.59 . . . . 0.0 109.974 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 634' ' ' LYS . . . -59.37 -39.4 83.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.332 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -61.15 -38.77 87.62 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.32 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.28 86.75 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.725 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.669 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -63.96 -40.34 96.2 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.748 0.308 . . . . 0.0 111.387 175.826 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 630' ' ' ALA . 64.5 mttm -59.13 -45.9 89.74 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.547 ' O ' ' HG2' ' A' ' 639' ' ' MET . 11.1 t -57.68 -51.59 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.689 174.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.669 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.2 OUTLIER -56.48 -39.53 73.37 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 121.215 -0.194 . . . . 0.0 110.994 -178.572 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.31 -49.24 62.32 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.52 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.67 -40.88 97.93 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 24.0 mmt -61.63 -38.08 86.34 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.273 177.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.537 ' CD1' ' HD3' ' A' ' 600' ' ' ARG . 6.5 t80 -50.93 -37.44 44.23 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.593 0.558 . . . . 0.0 111.751 -173.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -50.28 63.25 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.646 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 642' ' ' SER . . . . . 0.528 ' C ' ' H ' ' A' ' 644' ' ' ASN . 23.2 t -65.06 -36.95 85.97 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.808 178.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.64 22.49 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.993 1.717 . . . . 0.0 114.725 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.528 ' H ' ' C ' ' A' ' 642' ' ' SER . 32.7 t30 -70.25 1.1 5.2 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.087 0.47 . . . . 0.0 109.951 -177.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 19.7 m -140.01 138.53 35.53 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.545 173.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.43 ' O ' ' HD1' ' A' ' 650' ' ' TYR . 11.7 mmm180 -55.16 -51.16 67.38 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -174.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -59.99 -40.64 89.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 6.7 tp10 -56.52 -48.4 77.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.104 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.99 -49.46 76.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.462 -175.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.43 ' HD1' ' O ' ' A' ' 646' ' ' ARG . 68.4 m-85 -66.53 -40.19 88.99 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.175 0.512 . . . . 0.0 110.749 -176.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -40.85 86.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.257 -175.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.689 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 96.9 mt -61.08 -50.89 71.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 3.2 mt -61.31 -45.05 96.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.929 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.62 -42.18 82.81 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.604 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.58 -46.06 90.08 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.674 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.689 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 59.0 mmtt -64.98 -40.3 94.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 -175.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.449 ' O ' ' HG3' ' A' ' 661' ' ' GLN . 80.7 mt -61.66 -40.87 88.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.275 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -64.06 -37.21 86.62 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 74.2 mmtt -57.11 -47.96 79.79 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.759 0.314 . . . . 0.0 110.291 177.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.539 ' CD1' HD22 ' B' ' 845' ' ' LEU . 0.3 OUTLIER -63.08 -38.04 81.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.985 177.156 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 661' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 94.8 mt-30 -65.55 -39.72 92.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.199 0.523 . . . . 0.0 109.631 -178.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -64.82 -41.13 96.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.186 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.66 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 65.7 mm-40 -57.64 -46.62 83.94 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.663 178.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 92.2 mt -58.28 -42.49 86.69 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.583 0.552 . . . . 0.0 111.117 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.41 -45.45 90.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.124 0.487 . . . . 0.0 109.872 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -64.66 -37.92 89.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.601 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.66 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 37.6 mmtm -61.77 -41.21 97.42 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -69.78 -27.71 65.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 122.212 1.006 . . . . 0.0 110.371 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -74.63 -25.47 59.24 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 113.659 -1.61 . . . . 0.0 109.862 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 10.3 t -98.89 -2.88 36.55 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.302 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 38.31 86.24 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 O-C-N 124.237 0.961 . . . . 0.0 112.213 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 70.2 mt . . . . . 0 C--O 1.246 0.872 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.129 -174.583 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 CA--C 1.519 -0.246 0 CA-C-O 121.389 0.614 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 841' ' ' ALA . . . . . 0.507 ' O ' ' HE3' ' A' ' 656' ' ' LYS . . . -82.3 65.69 7.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.147 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 82.82 106.55 0.47 Allowed Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.058 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -74.18 -64.64 0.97 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.175 0.512 . . . . 0.0 109.752 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 43.9 mt -138.71 146.99 25.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 176.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.539 HD22 ' CD1' ' A' ' 660' ' ' ILE . 5.9 mp -79.46 134.85 57.67 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.698 0.285 . . . . 0.0 110.551 -174.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -43.92 137.36 6.88 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 124.471 3.447 . . . . 0.0 114.877 -174.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 6.2 p -55.44 -37.56 67.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.172 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -54.52 -47.8 72.7 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.743 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 38.9 mm -65.15 -39.85 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.998 0.428 . . . . 0.0 110.32 178.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.462 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 3.0 mmt -56.62 -38.53 72.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.996 177.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -55.44 -38.09 68.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.354 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -55.61 -50.71 69.43 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 -175.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 6.1 p -66.65 -39.84 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 120.697 0.284 . . . . 0.0 111.367 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.61 -39.26 93.4 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.728 0.299 . . . . 0.0 111.034 177.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -72.78 -22.63 60.81 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.314 -176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -92.04 148.63 22.04 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 3.5 m -124.66 85.93 56.2 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.031 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo . . . . . 0 C--O 1.25 1.105 0 C-N-CA 122.371 2.048 . . . . 0.0 112.005 177.757 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 121.037 0.243 . . . . 0.0 113.363 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 587' ' ' VAL . . . . . 0.555 HG23 ' HD2' ' A' ' 589' ' ' LYS . 16.1 m -145.09 145.56 20.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 176.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.481 ' O ' ' HD2' ' A' ' 588' ' ' ARG . 6.3 ppt_? -68.4 4.03 1.51 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -172.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.555 ' HD2' HG23 ' A' ' 587' ' ' VAL . 0.0 OUTLIER -44.94 119.72 2.08 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.929 0.871 . . . . 0.0 111.416 -176.504 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 161.36 80.95 0.04 OUTLIER Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.119 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.79 -47.06 10.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.017 0.913 . . . . 0.0 108.728 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -98.7 5.45 47.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.09 -174.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.39 -29.79 25.91 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -171.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.63 24.18 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.032 0.444 . . . . 0.0 111.477 177.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.541 HG13 HD23 ' A' ' 599' ' ' LEU . 86.9 t -137.68 133.69 45.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.622 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.7 t -91.19 164.15 14.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.873 0.368 . . . . 0.0 111.258 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -64.57 -42.11 95.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.393 0.616 . . . . 0.0 109.795 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -59.27 -39.54 83.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.306 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.622 ' H ' HG23 ' A' ' 596' ' ' THR . 20.6 tp -54.3 -47.73 72.1 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.059 -177.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.51 ' HD3' ' CE1' ' A' ' 640' ' ' TYR . 30.5 mtm105 -57.43 -50.7 72.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.544 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 22.0 p -64.14 -40.18 95.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.859 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -58.99 -48.97 79.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.153 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.506 HD13 ' CD1' ' A' ' 653' ' ' LEU . 47.6 mt -63.73 -38.28 90.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.186 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 600' ' ' ARG . 55.3 t -57.78 -40.61 76.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.555 0.217 . . . . 0.0 110.966 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -62.79 -38.22 89.8 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 121.183 -0.207 . . . . 0.0 110.766 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -58.54 -39.53 80.46 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.179 0.514 . . . . 0.0 110.483 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.13 -48.92 74.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.591 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.429 HG13 HD11 ' A' ' 628' ' ' LEU . 92.3 t -56.37 -42.91 75.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.03 173.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -55.97 -41.58 74.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.744 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.432 ' HB1' HG21 ' A' ' 660' ' ' ILE . . . -61.7 -40.28 94.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.673 178.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 36.2 mt -80.52 -33.95 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.617 0.246 . . . . 0.0 110.732 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -154.88 90.17 3.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 -171.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -78.38 -32.77 2.14 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.024 1.816 . . . . 0.0 112.534 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 25.2 p -64.2 119.48 56.23 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -77.13 91.46 1.17 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.078 2.519 . . . . 0.0 110.992 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 14.7 t70 -102.98 124.65 37.81 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.294 -177.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.61 -32.38 96.57 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.191 2.594 . . . . 0.0 113.693 -175.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -89.43 -47.04 8.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.551 0.215 . . . . 0.0 110.743 -176.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.615 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -56.7 -28.79 61.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.502 176.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -30.1 71.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.245 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -102.79 16.67 25.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.006 0.431 . . . . 0.0 110.789 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -99.58 133.53 43.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.489 -175.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -60.74 -38.71 86.09 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.576 -176.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -39.54 75.39 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 122.318 0.247 . . . . 0.0 110.902 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.55 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 46.1 ttm -62.02 -39.02 90.87 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.602 175.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.12 -38.62 87.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.885 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -57.48 -46.89 83.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.746 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.1 pp -66.75 -38.85 87.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.875 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 625' ' ' MET . 99.4 t -65.26 -40.75 89.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.283 0.563 . . . . 0.0 110.144 178.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.2 87.26 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.73 176.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -64.42 -36.92 85.74 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 629' ' ' VAL . . . -55.37 -39.95 70.72 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.084 0.468 . . . . 0.0 110.096 178.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -39.89 95.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.528 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -56.1 -47.11 78.68 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.724 0.297 . . . . 0.0 110.555 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.556 ' O ' ' HG2' ' A' ' 639' ' ' MET . 12.4 t -55.95 -44.47 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.995 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.487 ' OE2' ' HB3' ' A' ' 600' ' ' ARG . 6.3 tt0 -54.88 -45.83 74.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.38 178.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.44 -48.82 74.96 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.694 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.08 -41.5 97.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.797 0.299 . . . . 0.0 111.186 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.556 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 21.7 mmt -64.58 -36.97 85.94 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.229 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.51 ' CE1' ' HD3' ' A' ' 600' ' ' ARG . 4.3 t80 -49.75 -37.05 27.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.199 -0.91 . . . . 0.0 113.058 -170.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.21 -50.5 65.63 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.52 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 642' ' ' SER . . . . . 0.519 ' C ' ' H ' ' A' ' 644' ' ' ASN . 19.5 m -64.35 -37.53 87.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.848 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.44 19.15 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.519 ' H ' ' C ' ' A' ' 642' ' ' SER . 0.1 OUTLIER -83.24 19.31 1.51 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.498 0.666 . . . . 0.0 109.231 -179.673 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 35.3 m -151.08 134.63 16.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -55.24 -51.02 67.96 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -170.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.17 -40.87 97.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.743 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 19.4 tt0 -61.44 -43.37 98.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.935 -177.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.77 -50.34 73.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.757 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -66.17 -39.42 89.74 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -65.16 -42.36 93.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.75 0.31 . . . . 0.0 110.438 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.51 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 93.3 mt -64.07 -48.34 76.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.0 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.514 ' O ' HG13 ' A' ' 657' ' ' ILE . 13.7 mt -64.29 -45.53 87.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.253 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.13 91.27 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.124 0.265 . . . . 0.0 111.439 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -57.39 -43.87 84.0 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.464 0.65 . . . . 0.0 109.483 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.414 ' HZ2' HG11 ' A' ' 635' ' ' VAL . 1.3 tmmm? -58.93 -41.27 86.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.826 178.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 653' ' ' LEU . 64.4 mt -64.33 -44.01 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.867 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -63.41 -38.86 92.76 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 36.9 mmtm -57.29 -45.08 84.45 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.725 177.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.498 HD11 HD22 ' B' ' 845' ' ' LEU . 0.1 OUTLIER -62.93 -37.18 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.301 177.479 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 661' ' ' GLN . . . . . 0.492 ' O ' ' HG3' ' A' ' 665' ' ' GLU . 92.0 mt-30 -65.1 -41.69 94.7 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -175.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 662' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 662' ' ' LYS . 70.3 mmtt -66.6 -40.38 88.83 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.114 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 67.9 mm-40 -58.77 -49.2 78.53 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.773 0.32 . . . . 0.0 110.633 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 668' ' ' ARG . 89.4 mt -59.05 -48.38 81.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 665' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 661' ' ' GLN . 52.0 mt-10 -64.8 -42.71 94.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.703 0.287 . . . . 0.0 110.759 -178.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -59.56 -51.22 70.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.214 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -45.03 74.96 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -175.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 668' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 664' ' ' LEU . 29.4 ptt180 -76.08 -18.02 59.37 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.504 0.668 . . . . 0.0 111.82 -172.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 665' ' ' GLU . 36.0 ttp-105 -66.27 -31.07 71.66 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.398 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 32.6 t -98.44 -2.41 39.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.014 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -95.55 64.22 2.55 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.26 0.552 . . . . 0.0 110.12 -176.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.245 -0.883 . . . . 0.0 109.19 175.677 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 840' ' ' ASP . . . . . 0.491 ' HA ' ' OD1' ' B' ' 843' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 120.99 0.424 . . . . 0.0 111.695 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -85.66 31.66 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.383 0.611 . . . . 0.0 110.261 176.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 88.66 62.0 1.41 Allowed Glycine 0 N--CA 1.44 -1.059 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.028 -177.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 843' ' ' ASN . . . . . 0.491 ' OD1' ' HA ' ' B' ' 840' ' ' ASP . 20.1 m120 -75.64 -46.88 29.0 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 174.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 13.2 mt -85.45 132.53 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 107.508 -1.294 . . . . 0.0 107.508 167.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.498 HD22 HD11 ' A' ' 660' ' ' ILE . 5.7 mp -79.82 135.12 56.02 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 120.785 0.326 . . . . 0.0 110.687 -173.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 846' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 845' ' ' LEU . 83.4 Cg_exo -46.63 136.73 16.01 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.993 3.129 . . . . 0.0 114.052 -175.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 20.4 m -55.34 -38.0 68.18 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.736 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -55.17 -48.38 73.85 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.864 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 32.3 mm -64.47 -38.91 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 121.122 0.487 . . . . 0.0 109.956 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.45 ' SD ' HG12 ' A' ' 660' ' ' ILE . 31.4 mmt -62.14 -42.52 99.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.34 176.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.5 -38.13 89.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.045 173.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -57.6 -47.68 81.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.626 -176.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 2.6 p -65.46 -40.74 89.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.069 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 854' ' ' LEU . . . . . 0.447 HD23 ' O ' ' B' ' 850' ' ' MET . 3.1 mm? -57.47 -35.87 70.72 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 175.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -63.19 -22.26 66.75 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.641 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -92.84 166.89 12.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.309 0.576 . . . . 0.0 111.164 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 26.7 m -133.55 95.75 17.56 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.541 173.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo . . . . . 0 C--O 1.251 1.143 0 C-N-CA 123.235 2.623 . . . . 0.0 112.516 -179.425 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.738 0 CA-C-O 121.19 0.328 . . . . 0.0 112.297 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 19.2 m -117.9 162.86 15.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-O 120.673 0.273 . . . . 0.0 110.427 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 589' ' ' LYS . 6.4 ppt_? -76.18 -22.68 55.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.98 0.419 . . . . 0.0 110.214 178.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.675 ' HB2' ' CH2' ' A' ' 591' ' ' TRP . 21.5 pttp -87.76 65.89 8.6 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 122.272 1.034 . . . . 0.0 109.854 176.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -90.03 22.27 26.62 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.312 -0.858 . . . . 0.0 113.109 -173.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.675 ' CH2' ' HB2' ' A' ' 589' ' ' LYS . 0.0 OUTLIER -84.51 -58.07 2.88 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 117.614 0.707 . . . . 0.0 110.553 179.352 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 592' ' ' HIS . . . . . 0.406 ' H ' ' HE3' ' A' ' 591' ' ' TRP . 30.3 m80 -94.68 4.72 53.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.747 -173.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -56.6 -34.21 66.98 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -173.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -74.23 16.67 0.23 Allowed 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.553 HG13 HD23 ' A' ' 599' ' ' LEU . 86.6 t -125.67 131.97 71.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 172.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.492 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.0 t -93.71 154.75 17.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.659 0.266 . . . . 0.0 110.702 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -60.7 -38.0 83.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -55.67 -40.04 71.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.473 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.553 HD23 HG13 ' A' ' 595' ' ' VAL . 19.9 tp -55.92 -47.9 76.65 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.737 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 604' ' ' VAL . 69.5 mtp180 -60.97 -49.7 76.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.943 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 19.1 p -62.62 -38.39 90.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.075 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -55.67 -48.37 75.15 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.116 0.484 . . . . 0.0 110.087 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.425 HD13 ' CD1' ' A' ' 653' ' ' LEU . 39.5 mt -65.05 -37.79 88.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.242 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 600' ' ' ARG . 58.6 t -61.33 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.133 0.492 . . . . 0.0 110.243 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -63.35 -37.33 86.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.61 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -61.38 -40.35 94.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.794 0.331 . . . . 0.0 110.486 175.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.3 tt -64.15 -43.05 96.38 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.495 HG13 HD11 ' A' ' 628' ' ' LEU . 78.4 t -58.16 -46.64 88.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.169 0.509 . . . . 0.0 110.206 172.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.03 -38.7 70.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.985 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.47 -39.32 79.61 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.066 178.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 27.5 mt -82.18 -35.65 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -157.89 100.88 1.8 Allowed Pre-proline 0 N--CA 1.452 -0.331 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -173.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -74.39 -31.27 7.45 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 121.965 1.777 . . . . 0.0 113.181 -170.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 11.4 p -85.01 123.29 73.79 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 120.693 0.282 . . . . 0.0 111.494 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -75.88 65.91 6.79 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.756 2.304 . . . . 0.0 110.964 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.451 ' O ' ' HB2' ' A' ' 620' ' ' LEU . 32.0 t70 -61.24 125.18 83.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.88 -178.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.09 -28.89 87.97 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.964 2.442 . . . . 0.0 113.548 -175.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -79.56 -53.36 6.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.015 0.436 . . . . 0.0 110.082 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -58.26 -27.45 64.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.979 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.528 HD22 ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -63.04 -30.93 71.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.933 -179.209 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 621' ' ' LYS . . . . . 0.413 ' HE2' ' HA ' ' A' ' 621' ' ' LYS . 11.5 mmpt? -95.54 -3.19 47.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.278 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -89.84 136.74 32.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.803 0.335 . . . . 0.0 110.42 -174.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 623' ' ' ARG . . . . . 0.582 ' NH2' ' HG3' ' A' ' 626' ' ' GLU . 3.6 mmp_? -53.48 -37.83 63.07 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.198 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 624' ' ' ARG . 15.9 ttm180 -60.06 -40.19 88.59 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 111.388 0.144 . . . . 0.0 111.388 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.541 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 42.3 ttm -64.55 -39.6 94.05 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.429 177.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 626' ' ' GLU . . . . . 0.582 ' HG3' ' NH2' ' A' ' 623' ' ' ARG . 45.4 mm-40 -61.2 -39.29 89.66 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.773 0.32 . . . . 0.0 110.27 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -61.83 -44.55 96.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.817 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 625' ' ' MET . 0.8 OUTLIER -66.1 -38.28 87.83 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.068 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 625' ' ' MET . 96.7 t -65.05 -41.34 91.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.137 0.494 . . . . 0.0 110.234 177.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 634' ' ' LYS . . . -62.95 -39.73 95.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.491 175.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -59.86 -40.47 88.73 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 176.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.52 -49.52 77.09 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.392 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.607 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -57.28 -39.17 75.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.829 174.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 630' ' ' ALA . 9.1 mtpm? -56.88 -49.53 75.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.779 0.323 . . . . 0.0 110.298 176.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.638 ' O ' ' HG2' ' A' ' 639' ' ' MET . 11.6 t -57.01 -51.88 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.625 174.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.1 OUTLIER -58.16 -39.31 78.5 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 121.239 -0.184 . . . . 0.0 111.074 -178.75 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.38 -47.29 88.84 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 638' ' ' ASP . . . . . 0.411 ' CB ' ' HB2' ' B' ' 841' ' ' ALA . 24.6 t70 -64.09 -40.61 96.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.025 0.441 . . . . 0.0 110.63 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.638 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 25.0 mmt -61.51 -36.26 80.04 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.554 176.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -51.39 -38.21 52.23 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.537 0.523 . . . . 0.0 111.992 -173.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -49.55 65.42 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.406 0.622 . . . . 0.0 110.432 176.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 642' ' ' SER . . . . . 0.525 ' C ' ' H ' ' A' ' 644' ' ' ASN . 7.6 t -62.64 -34.32 76.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.155 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.97 23.18 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.522 1.529 . . . . 0.0 114.663 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.525 ' H ' ' C ' ' A' ' 642' ' ' SER . 65.5 t30 -74.97 -2.69 28.29 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 13.5 m -138.44 131.66 30.12 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -56.29 -47.79 77.94 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.86 0.362 . . . . 0.0 111.398 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.04 -40.63 96.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.915 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.521 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.3 tp10 -63.89 -48.4 76.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.687 -178.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -54.71 -50.0 69.35 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.333 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -65.57 -39.13 91.3 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -66.34 -40.98 90.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.001 0.429 . . . . 0.0 110.677 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 65.6 mt -62.51 -49.82 73.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.167 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.518 ' O ' HG13 ' A' ' 657' ' ' ILE . 10.3 mt -61.05 -42.45 98.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.825 177.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.63 -44.1 76.78 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.301 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -58.01 -46.29 85.49 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.608 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -64.59 -40.05 94.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.09 -176.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 653' ' ' LEU . 55.0 mt -64.11 -40.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -63.07 -38.31 90.66 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.503 ' HG2' ' HA ' ' B' ' 844' ' ' ILE . 13.6 tppt? -57.93 -48.0 81.2 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 177.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.564 HG13 HD13 ' B' ' 845' ' ' LEU . 0.5 OUTLIER -59.55 -38.96 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.076 175.121 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 661' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 52.0 mt-30 -65.5 -39.71 92.18 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -64.99 -47.9 75.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.655 176.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 18.7 mm-40 -61.19 -49.34 77.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.142 -174.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 80.2 mt -59.43 -45.29 91.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.0 0.428 . . . . 0.0 110.686 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -66.01 -49.73 66.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.951 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -65.74 -40.44 92.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.725 -175.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -65.45 -40.07 92.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.105 -0.372 . . . . 0.0 110.766 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 668' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 668' ' ' ARG . 18.1 ttm105 -67.32 -17.56 64.81 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.433 0.635 . . . . 0.0 111.038 -176.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -49.06 -35.84 16.85 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.485 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 1.3 t -96.14 -48.63 5.57 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 119.685 -0.806 . . . . 0.0 111.371 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.36 80.53 0.01 OUTLIER 'General case' 0 C--N 1.346 0.448 0 CA-C-N 118.442 0.564 . . . . 0.0 111.421 169.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 672' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' B' ' 854' ' ' LEU . 86.7 mt . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.342 -0.837 . . . . 0.0 111.071 173.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.977 0.417 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 841' ' ' ALA . . . . . 0.411 ' HB2' ' CB ' ' A' ' 638' ' ' ASP . . . -90.28 -17.77 26.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.079 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 108.11 88.15 1.96 Allowed Glycine 0 N--CA 1.439 -1.108 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.215 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -64.7 -37.31 87.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.302 0.572 . . . . 0.0 109.545 175.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 844' ' ' ILE . . . . . 0.503 ' HA ' ' HG2' ' A' ' 659' ' ' LYS . 23.1 mt -123.42 129.17 74.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 170.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.564 HD13 HG13 ' A' ' 660' ' ' ILE . 4.3 mp -79.06 135.27 58.63 Favored Pre-proline 0 N--CA 1.452 -0.326 0 CA-C-O 120.807 0.337 . . . . 0.0 110.975 -174.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 846' ' ' PRO . . . . . 0.417 ' HB2' HG12 ' B' ' 849' ' ' ILE . 93.4 Cg_exo -44.44 128.87 8.44 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 124.645 3.564 . . . . 0.0 114.523 -174.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.0 p -57.87 -39.24 77.31 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.246 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.04 -46.94 78.72 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.697 -177.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 849' ' ' ILE . . . . . 0.417 HG12 ' HB2' ' B' ' 846' ' ' PRO . 18.8 mm -64.48 -40.0 87.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.526 ' SD ' HG12 ' A' ' 660' ' ' ILE . 30.9 mmt -62.8 -40.04 96.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.759 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.56 -39.08 82.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.923 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -55.26 -49.85 71.0 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.18 0.3 . . . . 0.0 111.452 -174.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 853' ' ' VAL . . . . . 0.493 HG13 HD22 ' B' ' 854' ' ' LEU . 11.4 p -66.14 -41.57 89.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 854' ' ' LEU . . . . . 0.493 HD22 HG13 ' B' ' 853' ' ' VAL . 4.4 mm? -67.18 -42.02 84.92 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.684 0.254 . . . . 0.0 111.684 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -82.43 -33.8 28.43 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -172.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 856' ' ' ASN . . . . . 0.497 ' O ' ' HD3' ' B' ' 858' ' ' PRO . 55.0 t30 -93.03 128.66 38.98 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 11.4 m -106.3 97.7 17.08 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.519 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 858' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' B' ' 856' ' ' ASN . 7.5 Cg_exo . . . . . 0 C--O 1.251 1.139 0 C-N-CA 123.021 2.48 . . . . 0.0 111.799 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.304 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 27.1 m 46.61 -172.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.309 1.043 . . . . 0.0 113.001 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 589' ' ' LYS . 6.5 ppt_? -62.78 -33.62 75.57 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 122.034 -0.416 . . . . 0.0 112.111 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.416 ' N ' ' HD2' ' A' ' 588' ' ' ARG . 15.1 pttp -49.42 130.11 19.56 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.306 0.574 . . . . 0.0 110.696 175.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 156.56 78.92 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.262 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.54 -69.24 0.59 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.425 0.631 . . . . 0.0 110.185 -176.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -94.71 2.43 55.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.159 -173.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -86.71 -37.66 17.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -170.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -128.4 32.17 4.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.462 0.649 . . . . 0.0 110.26 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.474 HG13 HD23 ' A' ' 599' ' ' LEU . 27.7 t -138.26 132.18 41.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.888 171.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.557 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.3 t -90.14 157.81 17.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.748 0.309 . . . . 0.0 111.127 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.35 -38.45 89.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.816 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -57.65 -40.42 79.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.841 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.557 ' H ' HG23 ' A' ' 596' ' ' THR . 18.2 tp -57.6 -44.68 85.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.174 0.511 . . . . 0.0 110.377 176.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.552 ' HD2' ' OH ' ' A' ' 649' ' ' TYR . 20.3 mmm180 -64.01 -50.52 68.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.129 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 11.1 p -66.1 -39.53 90.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.644 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 602' ' ' HIS . . . . . 0.454 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 20.6 t60 -55.67 -49.56 72.61 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.135 0.493 . . . . 0.0 110.481 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' A' ' 653' ' ' LEU . 66.8 mt -64.48 -36.43 84.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.582 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 608' ' ' VAL . 53.3 t -61.81 -41.83 92.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.955 0.407 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -63.64 -39.45 94.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.282 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 602' ' ' HIS . 45.1 mtpt -61.9 -40.14 94.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.994 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.35 -42.29 93.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.037 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.512 HG13 HD11 ' A' ' 628' ' ' LEU . 93.0 t -61.03 -46.36 96.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.21 0.528 . . . . 0.0 110.016 175.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -55.6 -39.36 70.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.826 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.498 ' HB1' HG21 ' A' ' 660' ' ' ILE . . . -60.09 -40.26 88.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.516 177.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.435 HG12 HD11 ' A' ' 660' ' ' ILE . 32.9 mt -75.99 -33.97 26.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.632 0.253 . . . . 0.0 110.334 -178.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -156.47 101.03 2.04 Favored Pre-proline 0 N--CA 1.45 -0.474 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 -171.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -77.09 -34.73 2.06 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.903 1.736 . . . . 0.0 113.317 -173.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 40.0 p -77.87 111.07 15.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 6.3 Cg_exo -82.1 69.42 7.52 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.934 2.423 . . . . 0.0 111.54 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 22.3 t70 -64.49 128.79 93.76 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.24 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -57.33 -28.14 78.64 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.196 2.597 . . . . 0.0 113.774 -176.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.43 -49.93 8.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.328 . . . . 0.0 110.12 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.08 -28.1 62.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.513 176.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.445 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -64.42 -30.26 71.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.063 -179.421 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -106.32 16.59 24.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.761 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 622' ' ' ASP . . . . . 0.634 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 16.8 t0 -93.58 129.47 39.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.916 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -55.62 -36.65 67.21 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.874 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.634 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 17.7 ttp180 -54.04 -40.94 67.54 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 122.195 0.198 . . . . 0.0 111.52 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.513 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 47.9 ttm -63.63 -38.41 91.02 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.409 178.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -56.4 -38.81 72.03 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.637 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -63.18 -46.09 88.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.168 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.4 pp -65.81 -38.26 88.49 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.233 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 625' ' ' MET . 67.9 t -64.12 -40.28 88.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.147 0.499 . . . . 0.0 110.002 177.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -59.13 -39.03 81.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.358 178.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -58.36 -40.22 81.67 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 121.188 -0.205 . . . . 0.0 110.629 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.96 -44.43 96.77 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.935 0.397 . . . . 0.0 110.264 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.651 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 31.7 mmtp -53.89 -50.59 66.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.875 173.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.525 ' HE2' ' N ' ' A' ' 634' ' ' LYS . 1.2 mpmm? -55.58 -47.3 76.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.564 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.459 ' O ' ' HG2' ' A' ' 639' ' ' MET . 21.7 t -55.53 -49.65 72.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.663 175.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 3.4 pt-20 -56.32 -40.52 74.51 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.607 0.241 . . . . 0.0 110.375 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.84 -50.51 47.05 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.125 -0.559 . . . . 0.0 113.036 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.25 -47.85 82.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 111.074 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.604 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 20.6 mmt -58.95 -36.83 75.47 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.697 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 643' ' ' ALA . 3.8 t80 -50.56 -35.44 29.79 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.866 0.729 . . . . 0.0 112.613 -170.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.56 -50.5 67.01 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.508 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 642' ' ' SER . . . . . 0.484 ' C ' ' H ' ' A' ' 644' ' ' ASN . 16.5 m -65.26 -38.35 90.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.163 0.506 . . . . 0.0 111.192 175.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 643' ' ' ALA . . . . . 0.509 ' HB3' ' HA ' ' A' ' 640' ' ' TYR . . . -59.21 20.76 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.136 1.374 . . . . 0.0 114.492 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.484 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.1 t-20 -75.34 2.84 10.25 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.421 0.629 . . . . 0.0 109.852 -175.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 40.1 m -140.94 139.6 34.32 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.175 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -54.87 -50.6 68.28 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -168.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.2 -42.09 98.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.398 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 9.6 tp10 -62.83 -41.93 99.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.638 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 649' ' ' TYR . . . . . 0.552 ' OH ' ' HD2' ' A' ' 600' ' ' ARG . 1.9 t80 -55.5 -49.58 72.18 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.636 -176.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -64.29 -37.47 87.6 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 120.799 0.333 . . . . 0.0 111.289 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -65.18 -44.99 86.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.036 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.604 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 61.7 mt -60.04 -50.82 72.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.209 -176.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.516 ' O ' HG13 ' A' ' 657' ' ' ILE . 6.5 mt -64.24 -44.86 90.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.33 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.19 -42.34 81.04 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.854 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 25.1 tt0 -60.12 -41.92 93.66 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.136 179.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -64.0 -40.84 97.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.446 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 653' ' ' LEU . 54.4 mt -64.93 -40.3 88.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.432 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -64.62 -37.75 88.65 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 75.5 mmtt -56.87 -46.13 82.02 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.662 HG13 HD13 ' B' ' 845' ' ' LEU . 0.2 OUTLIER -60.36 -38.89 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.915 176.448 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.77 -40.58 92.15 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.114 0.483 . . . . 0.0 109.733 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -65.35 -45.26 84.89 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.668 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 659' ' ' LYS . 24.7 mt-10 -63.04 -39.15 93.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.381 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 82.2 mt -59.2 -39.79 83.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.979 0.419 . . . . 0.0 110.116 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -65.61 -45.37 83.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.523 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 666' ' ' GLU . . . . . 0.549 ' O ' ' HB2' ' A' ' 669' ' ' ARG . 34.9 mm-40 -64.04 -39.92 95.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.187 -177.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 664' ' ' LEU . 11.6 pttm -55.69 -36.45 67.15 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.301 0.241 . . . . 0.0 111.019 -178.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 668' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 671' ' ' ARG . 37.2 ttm180 -69.27 8.97 0.5 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.604 0.716 . . . . 0.0 111.834 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.549 ' HB2' ' O ' ' A' ' 666' ' ' GLU . 2.2 tmt_? -44.76 -36.54 3.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.323 175.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 47.0 t -129.4 -36.65 1.67 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.335 173.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 671' ' ' ARG . 5.4 mmp_? -151.81 156.7 40.74 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-N 117.799 0.272 . . . . 0.0 110.841 -178.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 72.8 mt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 117.995 -1.003 . . . . 0.0 111.871 171.717 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 . . . . . 0 N--CA 1.465 0.278 0 CA-C-O 120.767 0.317 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -119.43 35.0 4.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.229 0.538 . . . . 0.0 109.625 174.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 77.23 95.66 0.2 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.996 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 843' ' ' ASN . . . . . 0.401 ' OD1' ' HE3' ' A' ' 659' ' ' LYS . 0.7 OUTLIER -58.34 -45.77 87.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.426 0.632 . . . . 0.0 109.675 177.439 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 7.1 mt -95.16 148.28 5.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.174 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.662 HD13 HG13 ' A' ' 660' ' ' ILE . 5.5 mp -81.36 140.09 48.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 120.968 0.413 . . . . 0.0 111.334 -172.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -57.58 144.76 91.7 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 123.333 2.689 . . . . 0.0 112.579 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.3 t -55.55 -37.83 68.5 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.601 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -53.3 -47.67 69.03 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.393 0.433 . . . . 0.0 111.696 -175.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 33.8 mm -66.36 -44.47 90.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.783 0.325 . . . . 0.0 111.143 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.534 ' O ' HD23 ' B' ' 854' ' ' LEU . 33.2 mmt -61.95 -38.8 89.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.23 0.538 . . . . 0.0 110.459 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.33 -36.64 63.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.928 176.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 22.7 m-30 -57.39 -50.84 71.69 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 111.498 0.185 . . . . 0.0 111.498 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 853' ' ' VAL . . . . . 0.49 HG12 ' O ' ' B' ' 850' ' ' MET . 12.2 p -66.95 -38.79 82.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 120.536 0.208 . . . . 0.0 110.82 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 854' ' ' LEU . . . . . 0.534 HD23 ' O ' ' B' ' 850' ' ' MET . 3.8 mm? -56.13 -37.12 69.03 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.916 0.389 . . . . 0.0 110.758 174.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -66.9 -13.78 62.07 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.969 0.414 . . . . 0.0 110.719 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -104.17 142.1 35.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.963 0.411 . . . . 0.0 110.589 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 18.1 m -123.26 96.27 44.48 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.086 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo . . . . . 0 C--O 1.248 1.005 0 C-N-CA 123.0 2.467 . . . . 0.0 111.992 -179.897 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.323 0 CA-C-O 120.902 0.168 . . . . 0.0 112.739 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 27.7 m -87.06 -178.63 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 O-C-N 122.737 -0.273 . . . . 0.0 111.356 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.427 ' HD2' ' C ' ' A' ' 588' ' ' ARG . 6.7 ppt_? -66.08 -22.22 66.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.368 -177.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.41 131.57 47.57 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.228 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -178.83 78.45 0.06 OUTLIER Glycine 0 N--CA 1.438 -1.213 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.761 -172.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.452 ' HE3' ' H ' ' A' ' 592' ' ' HIS . 0.0 OUTLIER -78.79 -44.3 23.49 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.572 0.701 . . . . 0.0 109.38 177.22 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 592' ' ' HIS . . . . . 0.452 ' H ' ' HE3' ' A' ' 591' ' ' TRP . 19.7 m80 -80.16 2.96 22.14 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.25 -175.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.87 -35.85 34.9 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -173.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -56.01 -12.26 1.38 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 175.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 43.0 t -137.67 132.68 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.584 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.3 t -90.98 150.77 21.33 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.203 177.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -59.02 -38.12 78.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.129 0.49 . . . . 0.0 109.726 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -57.74 -40.05 78.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.946 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.584 ' H ' HG23 ' A' ' 596' ' ' THR . 21.0 tp -57.74 -52.16 66.58 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.762 0.315 . . . . 0.0 111.007 177.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.406 ' O ' HG23 ' A' ' 604' ' ' VAL . 24.0 mtp180 -64.78 -46.8 80.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.67 -177.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 32.6 p -64.22 -40.31 95.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.909 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -57.49 -43.54 84.21 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.161 0.505 . . . . 0.0 110.272 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 35.1 mt -64.14 -38.24 90.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.874 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 600' ' ' ARG . 74.5 t -64.42 -45.16 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -178.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -63.19 -39.04 93.49 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.87 -40.25 94.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.455 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.84 -43.87 91.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.834 176.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.523 HG13 HD11 ' A' ' 628' ' ' LEU . 66.7 t -55.28 -45.2 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.152 0.501 . . . . 0.0 110.412 172.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 609' ' ' GLN . . . . . 0.413 ' HG2' ' HA ' ' A' ' 613' ' ' PRO . 1.0 OUTLIER -58.19 -38.72 77.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.539 178.301 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.2 -40.91 91.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.364 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.8 mt -80.5 -32.45 13.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -156.43 93.06 2.47 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -174.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 613' ' ' PRO . . . . . 0.413 ' HA ' ' HG2' ' A' ' 609' ' ' GLN . 41.5 Cg_endo -74.72 -32.85 5.48 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.078 1.852 . . . . 0.0 113.171 -170.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 13.8 p -73.93 108.49 5.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.317 -177.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 5.6 Cg_exo -80.41 75.58 4.97 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.888 2.392 . . . . 0.0 111.754 -178.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.452 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 15.5 t70 -73.06 124.87 91.15 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.83 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.78 -26.33 65.73 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.316 2.677 . . . . 0.0 113.742 -174.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -88.1 -49.04 7.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 0.0 110.35 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 622' ' ' ASP . . . -57.35 -27.96 62.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.324 175.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.552 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -61.4 -33.26 73.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.411 178.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -96.15 15.37 21.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.145 -177.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 622' ' ' ASP . . . . . 0.552 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 0.6 OUTLIER -97.29 141.12 30.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.234 0.54 . . . . 0.0 111.115 -173.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -64.08 -38.43 91.05 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.233 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.552 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 56.0 ttp180 -57.28 -43.94 83.59 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.738 0.304 . . . . 0.0 110.678 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.552 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 40.0 ttm -62.64 -38.38 90.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.769 175.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -56.35 -39.26 72.58 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.838 0.352 . . . . 0.0 110.158 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -61.97 -43.06 99.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.507 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.523 HD11 HG13 ' A' ' 608' ' ' VAL . 0.6 OUTLIER -66.99 -38.82 86.71 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.795 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 625' ' ' MET . 62.5 t -64.68 -40.22 88.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-O 121.148 0.499 . . . . 0.0 110.125 178.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.52 83.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.663 177.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -64.59 -38.61 91.6 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 175.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.89 94.43 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.071 0.462 . . . . 0.0 110.028 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.584 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 25.8 mmtp -59.86 -46.92 87.78 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.579 0.704 . . . . 0.0 111.266 173.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -54.1 -43.74 70.65 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.226 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.514 ' O ' ' HG2' ' A' ' 639' ' ' MET . 20.7 t -60.2 -49.96 82.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.724 176.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 3.9 pt-20 -56.3 -40.02 73.66 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.872 0.367 . . . . 0.0 110.436 -178.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.47 -48.26 70.29 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.744 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.36 -43.26 95.08 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.562 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 25.5 mmt -56.36 -36.67 69.07 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.713 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.497 ' HA ' ' HB3' ' A' ' 643' ' ' ALA . 17.2 t80 -49.23 -35.09 16.5 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.938 0.774 . . . . 0.0 112.919 -173.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.75 -52.24 61.32 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 119.66 -0.816 . . . . 0.0 110.61 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 642' ' ' SER . . . . . 0.439 ' C ' ' H ' ' A' ' 644' ' ' ASN . 23.4 t -67.75 -39.66 84.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.094 176.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 643' ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' ' 640' ' ' TYR . . . -57.73 20.38 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.439 ' H ' ' C ' ' A' ' 642' ' ' SER . 61.0 t30 -71.04 -1.92 13.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.222 0.534 . . . . 0.0 109.612 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 43.5 m -128.64 138.1 52.0 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.442 174.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -55.88 -49.96 71.95 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.637 0.256 . . . . 0.0 111.628 -176.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.92 -40.17 83.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.938 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 7.7 tp10 -62.09 -46.07 90.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.377 -178.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -55.59 -46.24 77.32 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.242 -175.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -62.7 -38.02 88.77 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 122.649 0.38 . . . . 0.0 111.25 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -66.3 -42.34 88.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.654 -174.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.562 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 46.7 mt -62.62 -50.38 71.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.361 -175.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.485 ' CD1' HD13 ' A' ' 603' ' ' LEU . 10.8 mt -62.34 -42.86 99.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.399 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.81 -44.93 78.32 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.57 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.12 -49.61 76.37 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.812 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -64.98 -41.64 95.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.272 -174.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.09 -40.61 89.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.818 0.342 . . . . 0.0 110.266 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -64.52 -37.39 87.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.319 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.484 ' O ' ' HB3' ' A' ' 662' ' ' LYS . 71.1 mmtt -57.7 -43.59 85.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.103 0.478 . . . . 0.0 110.472 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.539 HG13 HD13 ' B' ' 845' ' ' LEU . 1.0 OUTLIER -64.13 -37.83 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.767 175.694 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -64.12 -38.51 91.33 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 662' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 659' ' ' LYS . 21.4 tttm -56.39 -47.11 79.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.132 173.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -61.34 -40.1 93.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.328 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 92.1 mt -64.38 -39.03 93.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.089 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.08 -45.71 84.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.136 0.494 . . . . 0.0 110.353 172.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.36 -43.16 98.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.558 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.501 ' HG2' ' HA ' ' A' ' 664' ' ' LEU . 0.1 OUTLIER -57.0 -35.74 69.57 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -175.393 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -64.29 5.81 0.24 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.63 0.729 . . . . 0.0 111.98 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.473 ' H ' ' C ' ' A' ' 667' ' ' LYS . 42.1 ttm180 -43.68 -35.97 2.01 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.762 -1.108 . . . . 0.0 112.347 173.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 39.9 t -121.05 -42.65 2.48 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 119.94 -0.704 . . . . 0.0 112.524 177.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -156.67 128.64 7.31 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 118.987 0.812 . . . . 0.0 112.271 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 N--CA 1.482 1.13 0 O-C-N 124.871 1.357 . . . . 0.0 113.586 173.714 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 N--CA 1.464 0.232 0 CA-C-O 121.431 0.634 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -83.9 70.87 10.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.14 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 71.04 62.61 3.47 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.699 -175.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 843' ' ' ASN . . . . . 0.441 ' O ' ' HG3' ' A' ' 659' ' ' LYS . 4.2 m-20 -97.44 21.7 9.81 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.658 -0.771 . . . . 0.0 109.621 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 28.7 mt -101.05 146.93 8.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.367 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.539 HD13 HG13 ' A' ' 660' ' ' ILE . 5.8 mp -79.5 134.33 58.31 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -35.36 129.48 0.28 Allowed 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 125.239 3.959 . . . . 0.0 114.926 -174.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.8 m -55.05 -38.59 68.19 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.855 176.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.45 -46.89 85.66 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.696 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 40.9 mm -65.66 -40.19 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 120.968 0.413 . . . . 0.0 110.388 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.456 ' O ' HD23 ' B' ' 854' ' ' LEU . 2.5 mmt -55.47 -37.63 68.02 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.953 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -53.85 -36.71 62.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.535 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 23.1 m-30 -55.03 -51.94 64.73 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.337 -176.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.78 -40.06 80.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 120.92 0.39 . . . . 0.0 111.188 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 854' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 667' ' ' LYS . 3.0 mm? -57.66 -39.08 76.24 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.511 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 855' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' B' ' 855' ' ' LYS . 37.4 ttpt -106.96 33.69 3.83 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.496 0.665 . . . . 0.0 110.133 -174.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -136.86 137.9 40.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.543 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 8.5 m -109.72 94.42 16.84 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.043 177.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo . . . . . 0 C--O 1.247 0.969 0 C-N-CA 123.012 2.475 . . . . 0.0 113.166 -175.26 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.512 0 N-CA-C 111.742 -0.543 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 11.7 m -143.95 164.87 14.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -175.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.446 ' O ' ' HD3' ' A' ' 588' ' ' ARG . 0.1 OUTLIER -75.83 11.9 1.24 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.948 0.404 . . . . 0.0 111.928 -175.644 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -129.52 122.32 28.99 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 171.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 96.65 50.84 1.76 Allowed Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 -174.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -64.93 1.07 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.319 0.58 . . . . 0.0 111.48 -174.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -80.79 1.31 31.03 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.963 -167.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -47.18 81.31 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 118.74 0.7 . . . . 0.0 111.804 -172.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -70.21 7.16 1.06 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 178.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 86.4 t -134.89 132.31 53.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 118.371 0.532 . . . . 0.0 110.372 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.569 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.0 t -91.39 152.23 20.5 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 175.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -60.35 -38.69 84.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.347 0.594 . . . . 0.0 109.586 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -56.22 -40.92 74.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.665 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.569 ' H ' HG23 ' A' ' 596' ' ' THR . 17.9 tp -60.3 -48.35 82.1 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.651 177.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -59.01 -50.35 74.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.098 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 44.0 p -65.23 -40.56 94.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.91 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -56.66 -50.57 71.69 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.384 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 653' ' ' LEU . 42.0 mt -66.01 -38.98 89.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.225 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 608' ' ' VAL . 19.8 t -64.59 -45.41 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.856 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -63.99 -39.17 93.51 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.33 -40.08 95.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.286 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.9 tt -61.94 -44.03 97.61 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 604' ' ' VAL . 97.2 t -60.65 -45.05 98.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.459 174.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -58.26 -38.18 76.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.772 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.03 93.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.725 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.498 HG12 HD13 ' A' ' 660' ' ' ILE . 23.0 mt -78.56 -30.41 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.113 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -155.92 101.17 2.14 Favored Pre-proline 0 CA--C 1.531 0.245 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -79.13 -34.02 1.27 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.144 1.896 . . . . 0.0 113.46 -172.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.465 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 23.4 p -69.38 110.56 6.51 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.2 Cg_exo -83.92 72.84 5.15 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.213 2.609 . . . . 0.0 111.518 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.606 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 21.2 t70 -77.93 129.1 77.11 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.012 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -55.85 -28.97 70.37 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.514 2.809 . . . . 0.0 113.649 -174.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -92.75 -48.28 6.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.614 0.245 . . . . 0.0 110.557 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.606 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.58 -28.46 63.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.664 178.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.471 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -62.16 -31.84 72.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.196 0.522 . . . . 0.0 110.324 178.095 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -97.64 18.0 16.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.541 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 622' ' ' ASP . . . . . 0.586 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 5.2 t70 -93.62 129.72 39.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.157 -175.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -58.08 -39.5 78.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.439 -177.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.586 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 28.4 ttp180 -57.7 -46.8 83.88 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.623 177.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.557 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 41.9 ttm -64.44 -39.84 94.59 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.772 175.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 626' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 622' ' ' ASP . 39.6 mt-10 -58.08 -38.59 76.66 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-O 120.729 0.3 . . . . 0.0 110.763 -178.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -62.61 -40.72 97.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.203 178.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 625' ' ' MET . 0.7 OUTLIER -68.42 -38.16 80.96 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.017 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 625' ' ' MET . 84.5 t -64.15 -40.29 88.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-O 121.131 0.491 . . . . 0.0 110.217 178.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.478 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -58.58 -37.79 76.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.506 177.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -59.31 -37.5 77.91 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.296 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.51 94.9 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.206 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.531 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -65.02 -40.84 95.46 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 120.941 0.401 . . . . 0.0 110.509 175.424 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 31.3 mmmt -56.02 -42.88 77.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.966 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 639' ' ' MET . 19.6 t -55.61 -49.79 71.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.678 176.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 3.2 pt-20 -56.87 -39.98 75.33 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.255 -178.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.77 -48.52 71.33 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.775 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -63.71 -43.8 95.5 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.912 0.386 . . . . 0.0 110.963 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.5 mmt -64.26 -36.17 83.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.631 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.407 ' HA ' ' HB3' ' A' ' 643' ' ' ALA . 16.1 t80 -48.17 -36.64 13.98 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.803 0.689 . . . . 0.0 112.595 -173.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -65.5 -49.99 66.95 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.165 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 642' ' ' SER . . . . . 0.452 ' C ' ' H ' ' A' ' 644' ' ' ASN . 15.4 m -66.56 -39.34 88.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.449 176.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 643' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 640' ' ' TYR . . . -57.44 19.7 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.452 ' H ' ' C ' ' A' ' 642' ' ' SER . 65.9 t30 -70.81 -5.99 34.46 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 16.5 m -130.77 141.61 50.37 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.66 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -57.13 -50.03 74.07 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.602 0.239 . . . . 0.0 111.544 -177.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.53 -42.28 91.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.549 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.7 tp10 -62.18 -46.14 90.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.621 -177.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -55.88 -49.42 73.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.82 -175.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -66.33 -38.76 88.43 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.283 0.563 . . . . 0.0 110.967 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -43.57 89.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.005 -173.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 70.1 mt -63.18 -50.13 71.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.078 -177.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 603' ' ' LEU . 13.7 mt -62.45 -40.96 98.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.628 -178.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.89 78.79 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.727 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -55.94 -47.12 78.13 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.01 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -63.8 -40.16 95.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.553 -171.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 75.5 mt -60.88 -49.42 84.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.596 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -66.21 -38.69 88.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.038 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 659' ' ' LYS . 71.4 mmtt -60.45 -47.57 85.52 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.171 -178.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.542 HG13 HD13 ' B' ' 845' ' ' LEU . 1.3 mt -63.64 -39.18 84.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.915 177.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -64.58 -38.96 92.82 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.182 0.515 . . . . 0.0 109.961 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -64.32 -43.0 96.03 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.222 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.6 -42.53 95.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.512 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 86.3 mt -58.2 -45.29 87.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.865 0.364 . . . . 0.0 110.087 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.77 -42.7 94.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.757 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -58.43 -44.32 89.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.049 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -64.1 -38.15 90.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 668' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 664' ' ' LEU . 95.5 mtt180 -63.41 -7.38 6.48 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -49.03 -35.2 14.98 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.652 171.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 670' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 671' ' ' ARG . 68.3 m -102.24 -39.1 7.37 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.647 174.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.538 ' HG2' ' N ' ' A' ' 672' ' ' LEU . 16.5 ttp180 78.24 162.36 0.21 Allowed 'General case' 0 C--N 1.353 0.723 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 167.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 672' ' ' LEU . . . . . 0.538 ' N ' ' HG2' ' A' ' 671' ' ' ARG . 97.0 mt . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.813 -0.613 . . . . 0.0 109.699 172.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 . . . . . 0 C--O 1.235 0.293 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . 48.98 78.02 0.09 Allowed 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.835 0.709 . . . . 0.0 112.202 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 126.92 140.16 5.14 Favored Glycine 0 N--CA 1.438 -1.186 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.186 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -83.83 -8.68 59.16 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 5.5 mt -96.1 149.01 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.78 0.324 . . . . 0.0 110.497 -177.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.542 HD13 HG13 ' A' ' 660' ' ' ILE . 1.7 mt -93.0 158.19 37.92 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.232 -172.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 846' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' B' ' 845' ' ' LEU . 11.1 Cg_endo -53.98 123.02 12.45 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.402 2.735 . . . . 0.0 113.832 -176.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 11.3 p -55.99 -36.51 67.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.355 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -52.77 -49.04 66.34 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.098 -175.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 32.3 mm -64.6 -38.36 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.663 0.268 . . . . 0.0 110.508 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.469 ' O ' HD23 ' B' ' 854' ' ' LEU . 7.6 mmt -56.93 -45.59 82.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.946 0.403 . . . . 0.0 110.786 177.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -65.02 -39.0 92.76 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.679 0.276 . . . . 0.0 111.347 174.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 852' ' ' PHE . . . . . 0.466 ' CE2' ' HG3' ' A' ' 624' ' ' ARG . 13.3 t80 -61.47 -47.21 86.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 -178.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 853' ' ' VAL . . . . . 0.411 HG21 HG22 ' A' ' 611' ' ' ILE . 8.3 p -65.82 -38.67 82.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 111.422 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 854' ' ' LEU . . . . . 0.469 HD23 ' O ' ' B' ' 850' ' ' MET . 2.4 mm? -55.65 -35.74 66.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.645 174.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -84.7 13.31 5.87 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.011 0.434 . . . . 0.0 111.022 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -93.1 130.73 38.63 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 8.5 m -110.57 100.93 47.28 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 120.455 0.169 . . . . 0.0 111.098 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo . . . . . 0 C--O 1.252 1.184 0 C-N-CA 122.442 2.094 . . . . 0.0 111.964 176.677 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.817 0 N-CA-C 112.17 -0.372 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 29.6 m -95.77 149.43 4.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.83 0.348 . . . . 0.0 111.19 -177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -12.82 26.51 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.876 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.592 ' HG3' ' O ' ' A' ' 589' ' ' LYS . 21.1 pttp -94.11 67.57 3.64 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 122.411 1.1 . . . . 0.0 109.602 176.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -122.62 46.21 1.13 Allowed Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.507 -174.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -54.06 4.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.539 0.685 . . . . 0.0 109.779 176.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -95.94 5.02 52.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.651 -172.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 594' ' ' HIS . 8.3 pt-20 -50.3 -39.8 46.7 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -172.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.408 ' N ' ' HG3' ' A' ' 593' ' ' GLU . 5.5 p-80 -77.32 26.34 0.16 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -177.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.468 HG13 HD23 ' A' ' 599' ' ' LEU . 82.0 t -129.14 132.83 66.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 171.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.525 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.7 t -93.49 157.85 16.0 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 121.001 -0.279 . . . . 0.0 111.124 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -61.55 -39.65 91.86 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.53 -39.99 74.3 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.922 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.525 ' H ' HG23 ' A' ' 596' ' ' THR . 18.9 tp -57.68 -51.03 71.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.866 178.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -66.01 -45.38 81.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.604 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 35.2 p -64.04 -39.86 95.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.974 -176.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -57.59 -43.71 84.84 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.145 0.498 . . . . 0.0 110.123 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 65.7 mt -63.86 -36.23 83.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.515 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.59 -43.85 95.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.961 0.41 . . . . 0.0 110.257 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -60.0 -37.78 80.68 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.537 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 603' ' ' LEU . 31.2 mmmt -55.48 -48.55 74.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.545 177.163 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.2 tt -65.16 -41.62 94.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.418 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.515 HG13 HD11 ' A' ' 628' ' ' LEU . 96.9 t -60.63 -47.49 92.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.923 0.392 . . . . 0.0 110.385 176.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -58.13 -38.35 76.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.54 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.81 84.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.025 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.4 mt -83.88 -33.67 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -157.13 93.59 2.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -173.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -79.42 -36.84 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 121.884 1.723 . . . . 0.0 112.648 -175.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 20.3 p -67.09 117.25 44.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -176.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 6.1 Cg_exo -81.2 61.72 8.24 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.153 2.568 . . . . 0.0 111.806 177.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.459 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 19.3 t70 -63.91 127.61 91.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.153 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.17 -28.33 83.56 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.266 2.644 . . . . 0.0 113.474 -175.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -87.93 -49.92 6.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.828 0.347 . . . . 0.0 110.654 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.459 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -59.89 -28.23 67.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.593 177.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 616' ' ' ASP . 0.2 OUTLIER -64.81 -32.37 74.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.295 0.569 . . . . 0.0 109.74 179.165 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -93.89 11.64 28.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.906 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -89.83 131.89 35.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.067 0.461 . . . . 0.0 110.252 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -61.21 -37.55 83.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.299 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -64.83 -38.17 90.08 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.488 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 0.0 OUTLIER -55.69 -43.74 76.7 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.046 175.112 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.89 -38.14 78.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.852 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -60.51 -40.72 92.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.033 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.515 HD11 HG13 ' A' ' 608' ' ' VAL . 0.7 OUTLIER -66.63 -38.36 86.78 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.335 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.85 -42.97 96.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 121.218 0.533 . . . . 0.0 109.563 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -60.12 -37.99 81.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.633 175.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -60.91 -40.01 91.5 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.62 98.41 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.865 0.364 . . . . 0.0 110.074 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 630' ' ' ALA . 31.5 mmtp -54.47 -50.12 68.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.883 172.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 630' ' ' ALA . 67.7 mttm -55.78 -44.48 77.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.556 176.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.6 ' O ' ' HG2' ' A' ' 639' ' ' MET . 6.4 t -54.84 -47.09 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.805 172.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 633' ' ' LYS . 7.9 tt0 -55.54 -41.47 73.26 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 122.631 0.372 . . . . 0.0 110.77 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.21 -47.91 80.17 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.587 177.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.74 -42.2 97.91 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.991 0.424 . . . . 0.0 110.938 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.6 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.9 mmt -61.67 -37.4 83.96 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.39 178.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -51.26 -38.97 55.62 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 123.594 0.559 . . . . 0.0 111.574 -174.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.44 -50.28 59.97 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.228 0.537 . . . . 0.0 110.636 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 642' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 644' ' ' ASN . 4.5 t -64.68 -35.81 82.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.236 -178.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -56.5 22.2 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.518 1.527 . . . . 0.0 114.527 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.517 ' H ' ' C ' ' A' ' 642' ' ' SER . 64.5 t30 -73.31 -3.77 29.09 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -177.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 43.2 m -135.11 133.67 39.46 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -55.76 -50.09 71.36 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.29 -40.4 96.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.34 -43.7 98.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.62 -49.14 73.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.067 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -64.35 -38.37 90.79 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 111.755 0.279 . . . . 0.0 111.755 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -65.37 -41.1 94.15 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.971 0.415 . . . . 0.0 110.494 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.463 ' O ' ' HD3' ' A' ' 656' ' ' LYS . 39.7 mt -61.95 -52.32 64.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.031 -178.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.47 ' CD1' HD13 ' A' ' 603' ' ' LEU . 9.2 mt -60.69 -44.64 96.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.187 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.11 -42.05 80.12 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.659 178.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -59.82 -50.03 75.4 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.463 ' HD3' ' O ' ' A' ' 652' ' ' LEU . 2.7 mptp? -64.89 -40.02 94.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.858 -175.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.71 -44.72 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.349 . . . . 0.0 110.389 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 658' ' ' TYR . . . . . 0.517 ' O ' ' HG3' ' A' ' 662' ' ' LYS . 5.8 t80 -64.5 -38.61 91.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.367 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -56.99 -46.38 82.31 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-O 120.743 0.306 . . . . 0.0 110.645 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.486 HG13 HD13 ' B' ' 845' ' ' LEU . 0.8 OUTLIER -61.54 -38.32 79.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.148 176.822 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.34 -40.35 93.56 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.229 0.538 . . . . 0.0 109.746 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 662' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 658' ' ' TYR . 7.0 mtpm? -65.12 -40.45 94.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.525 177.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.56 -48.03 82.84 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 93.9 mt -59.26 -40.6 86.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.047 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 665' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 669' ' ' ARG . 31.9 tt0 -60.55 -50.66 72.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.421 178.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -60.26 -39.76 87.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.585 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' A' ' 667' ' ' LYS . 19.4 mtpp -61.41 -42.38 98.64 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.05 -178.163 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -80.69 -24.27 38.99 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.71 0.767 . . . . 0.0 111.178 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 665' ' ' GLU . 5.0 tmm_? -72.08 -35.13 69.16 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.459 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 22.9 t -102.04 8.99 40.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.37 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -41.51 116.24 0.74 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.176 175.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 98.7 mt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.668 -0.682 . . . . 0.0 110.727 -176.632 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 . . . . . 0 C--O 1.232 0.152 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . 50.12 92.81 0.02 OUTLIER 'General case' 0 C--O 1.235 0.294 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 142.01 132.14 2.7 Favored Glycine 0 N--CA 1.436 -1.366 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.536 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -75.1 -4.84 40.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.749 0.309 . . . . 0.0 111.281 -177.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 11.4 mt -92.25 141.66 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.486 HD13 HG13 ' A' ' 660' ' ' ILE . 5.8 mp -81.36 149.22 64.91 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -178.139 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.22 135.04 52.44 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.574 2.85 . . . . 0.0 114.152 -172.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 847' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' B' ' 850' ' ' MET . 19.2 m -59.67 -37.76 79.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.038 177.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.99 -43.42 86.55 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.864 -176.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 19.9 mm -64.42 -39.18 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.444 ' HB2' ' O ' ' B' ' 847' ' ' SER . 32.5 mmt -57.4 -39.08 75.38 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.751 175.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -55.07 -39.86 69.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 110.74 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -64.44 -49.33 71.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.787 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.05 -40.14 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.398 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 854' ' ' LEU . . . . . 0.439 HD23 ' O ' ' B' ' 850' ' ' MET . 2.9 mm? -60.34 -38.47 83.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.154 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -76.76 -16.72 59.4 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -172.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -122.1 151.17 41.2 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.869 -0.519 . . . . 0.0 111.345 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 40.8 m -152.26 95.11 3.18 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.894 175.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 123.106 2.537 . . . . 0.0 112.547 -178.391 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.461 0 N-CA-C 112.286 -0.325 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 29.1 m -106.62 147.37 12.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 -178.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.446 ' HD2' ' C ' ' A' ' 588' ' ' ARG . 7.2 ppt_? -84.38 -20.4 31.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.412 -178.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -115.27 101.36 8.87 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -159.95 68.72 0.25 Allowed Glycine 0 N--CA 1.434 -1.463 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.783 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.429 ' HE3' ' H ' ' A' ' 592' ' ' HIS . 0.0 OUTLIER -84.36 -56.33 3.69 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.671 0.748 . . . . 0.0 109.638 178.583 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 592' ' ' HIS . . . . . 0.429 ' H ' ' HE3' ' A' ' 591' ' ' TRP . 29.8 m80 -96.14 4.41 52.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.264 -174.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -54.12 -33.05 56.83 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -173.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -76.96 21.19 0.22 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.51 HG13 HD23 ' A' ' 599' ' ' LEU . 84.6 t -128.07 129.6 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 170.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.575 HG23 ' H ' ' A' ' 599' ' ' LEU . 4.0 t -90.41 160.38 16.08 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.085 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -64.25 -39.78 94.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.966 0.412 . . . . 0.0 110.057 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -56.62 -40.88 76.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.824 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.575 ' H ' HG23 ' A' ' 596' ' ' THR . 15.1 tp -60.0 -44.47 94.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.228 0.537 . . . . 0.0 110.162 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -64.72 -49.7 69.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.791 -175.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 24.8 p -66.09 -41.65 90.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.651 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -61.36 -43.89 98.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.942 -175.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 92.4 mt -61.3 -37.17 82.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.783 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 73.4 t -58.9 -40.38 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.133 0.492 . . . . 0.0 110.379 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.425 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 12.4 m-70 -62.95 -39.22 93.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.393 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -56.81 -44.45 82.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.52 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.91 -44.53 89.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.244 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.452 HG13 HD11 ' A' ' 628' ' ' LEU . 92.4 t -60.15 -48.17 89.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.063 176.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 609' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 15.0 mm100 -58.17 -38.52 76.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.993 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.35 -38.93 72.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.033 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.435 ' CG1' HD11 ' A' ' 660' ' ' ILE . 32.4 mt -78.47 -38.98 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -157.83 100.8 1.81 Allowed Pre-proline 0 CA--C 1.53 0.174 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -171.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -80.43 -31.49 1.59 Allowed 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 122.212 1.941 . . . . 0.0 113.679 -172.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 13.5 p -83.68 111.77 34.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -175.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -81.15 82.56 2.4 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.061 2.507 . . . . 0.0 112.255 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.443 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 25.0 t70 -70.13 128.56 91.45 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.133 177.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.0 -26.5 75.31 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.183 2.589 . . . . 0.0 113.946 -177.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -89.31 -50.94 5.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 0.0 110.458 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -56.04 -26.69 50.12 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.44 176.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -26.92 69.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.05 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -104.51 16.01 26.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.252 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -99.94 135.45 41.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.155 0.502 . . . . 0.0 110.235 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -56.37 -38.36 71.35 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.698 -174.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -59.88 -41.74 92.23 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.8 0.333 . . . . 0.0 110.75 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.554 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 5.3 tpp -62.83 -40.69 98.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.664 175.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.16 -38.94 92.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.921 -178.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -58.95 -43.14 91.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.044 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.0 OUTLIER -67.81 -38.39 83.22 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.056 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.454 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 94.6 t -64.81 -43.74 96.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.187 0.517 . . . . 0.0 109.848 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.524 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -59.32 -38.6 80.7 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.233 176.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -57.74 -41.07 81.15 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.506 0.193 . . . . 0.0 110.777 177.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.42 -42.96 95.76 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.936 0.398 . . . . 0.0 110.589 177.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.653 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 37.9 mmtm -52.56 -50.99 61.83 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.026 171.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -55.44 -45.23 76.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.901 175.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 639' ' ' MET . 16.3 t -54.05 -49.61 59.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.697 177.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 4.4 pt-20 -56.09 -40.35 73.52 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.572 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.66 -48.2 75.29 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.519 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.62 -45.6 89.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.945 0.403 . . . . 0.0 111.009 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.561 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 19.9 mmt -61.63 -36.24 80.21 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.379 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -49.36 -36.85 22.72 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.809 0.693 . . . . 0.0 112.577 -172.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -66.03 -51.0 62.2 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.39 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 642' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 644' ' ' ASN . 15.1 m -64.65 -37.88 89.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.0 178.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -54.88 21.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.485 1.514 . . . . 0.0 114.903 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.502 ' H ' ' C ' ' A' ' 642' ' ' SER . 1.3 t30 -82.74 19.7 1.28 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 70.1 p -155.66 146.76 22.48 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -57.11 -47.8 80.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.799 0.333 . . . . 0.0 111.165 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.51 -46.59 89.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.72 -176.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.2 -45.1 89.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.963 -177.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -49.87 74.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -175.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -64.88 -38.29 90.49 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -64.83 -46.87 80.1 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.881 0.372 . . . . 0.0 110.513 -174.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.561 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 80.7 mt -59.92 -49.26 78.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.546 -177.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.579 ' O ' HG13 ' A' ' 657' ' ' ILE . 5.3 mt -63.68 -44.67 93.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.871 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -58.25 -45.71 87.31 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.627 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 19.1 tt0 -56.35 -44.18 79.83 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.61 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.448 ' HE3' HG22 ' A' ' 635' ' ' VAL . 45.8 mttm -61.01 -40.53 93.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.525 177.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 653' ' ' LEU . 31.2 mt -62.75 -39.87 86.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.946 0.403 . . . . 0.0 109.97 -178.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -64.38 -39.29 93.57 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.274 175.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 74.9 mmtt -59.2 -41.12 87.79 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.161 0.505 . . . . 0.0 110.201 177.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.537 HG12 ' SD ' ' B' ' 850' ' ' MET . 0.2 OUTLIER -56.66 -37.91 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.232 176.35 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 661' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 665' ' ' GLU . 75.5 mt-30 -65.15 -41.29 94.89 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -173.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 662' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 97.2 mttt -65.54 -45.69 82.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.65 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.667 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 44.1 mm-40 -57.11 -49.4 76.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 94.7 mt -58.95 -44.1 91.38 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.1 -177.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 665' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 669' ' ' ARG . 23.9 mm-40 -64.74 -47.0 79.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.269 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 666' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 662' ' ' LYS . 72.7 mt-10 -60.45 -40.32 90.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.072 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.667 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 27.6 mmtp -66.23 -41.02 90.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.155 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -77.65 -10.39 59.49 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.459 0.647 . . . . 0.0 111.598 -174.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 665' ' ' GLU . 67.1 mtm180 -57.22 -37.25 71.95 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.237 173.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 95.5 p -105.38 -46.95 4.07 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.186 176.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -61.94 95.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.204 0.526 . . . . 0.0 110.501 171.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 79.5 mt . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.565 -0.731 . . . . 0.0 109.726 178.296 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 CA--C 1.517 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -92.45 44.06 1.15 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.403 0.62 . . . . 0.0 109.775 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 71.72 68.3 1.65 Allowed Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.624 -175.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -92.59 8.83 37.26 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.218 -0.491 . . . . 0.0 110.909 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 51.3 mt -133.63 150.27 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -177.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.521 HD13 HG13 ' A' ' 660' ' ' ILE . 5.3 mp -90.76 134.01 31.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 177.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.26 131.43 43.18 Favored 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 123.034 2.489 . . . . 0.0 112.247 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.7 t -55.31 -38.83 69.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.272 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -55.29 -47.97 74.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.786 -177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 29.8 mm -64.98 -40.45 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.161 0.505 . . . . 0.0 110.463 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.537 ' SD ' HG12 ' A' ' 660' ' ' ILE . 2.6 mmt -61.07 -37.99 84.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.378 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.8 -36.86 65.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.714 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -54.22 -49.68 68.88 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -173.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 3.0 p -64.42 -40.1 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 111.537 -176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 854' ' ' LEU . . . . . 0.461 ' HG ' ' CB ' ' A' ' 667' ' ' LYS . 4.3 mm? -65.92 -38.93 89.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.761 0.315 . . . . 0.0 110.464 175.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -71.84 -56.69 5.28 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.895 0.379 . . . . 0.0 110.567 -177.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -101.32 128.53 47.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.234 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 9.0 m -146.93 99.64 4.0 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.276 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo . . . . . 0 C--O 1.248 0.98 0 C-N-CA 123.224 2.616 . . . . 0.0 112.262 178.647 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.862 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 587' ' ' VAL . . . . . 0.508 HG23 ' HD2' ' A' ' 589' ' ' LYS . 35.0 m -79.63 156.16 4.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 173.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.636 ' O ' ' HD2' ' A' ' 588' ' ' ARG . 3.4 ppt_? -91.29 14.32 14.8 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.1 -172.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.508 ' HD2' HG23 ' A' ' 587' ' ' VAL . 0.1 OUTLIER -37.72 124.03 1.06 Allowed 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.991 0.807 . . . . 0.0 111.593 -179.14 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -171.38 74.06 0.1 Allowed Glycine 0 N--CA 1.434 -1.477 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.199 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -64.47 1.03 Allowed 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -93.75 5.2 52.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.777 -174.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.28 -29.64 1.06 Allowed 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -176.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -71.39 6.82 1.59 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.782 0.325 . . . . 0.0 111.853 176.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.484 HG13 HD23 ' A' ' 599' ' ' LEU . 73.6 t -134.79 133.48 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 168.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.611 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.5 t -90.62 153.83 20.03 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.371 175.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -63.56 -39.01 93.3 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -55.6 -38.23 69.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.685 178.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.611 ' H ' HG23 ' A' ' 596' ' ' THR . 16.8 tp -56.21 -49.41 74.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.328 177.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -64.99 -43.97 90.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.543 -178.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 12.0 p -64.42 -38.92 92.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.881 0.372 . . . . 0.0 110.539 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -61.0 -44.16 97.82 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.21 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 55.8 mt -62.49 -37.15 84.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.305 -178.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.58 -44.61 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.93 0.395 . . . . 0.0 110.241 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -64.74 -40.29 95.07 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.02 -40.31 73.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.386 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.41 -50.09 68.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.042 176.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 92.9 t -56.28 -49.02 78.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.504 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.47 -37.52 78.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.792 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -55.62 -39.41 70.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.731 0.3 . . . . 0.0 110.939 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 28.8 mt -83.2 -32.29 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.536 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -156.19 91.34 2.64 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -172.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 613' ' ' PRO . . . . . 0.453 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 57.9 Cg_endo -81.43 -25.04 4.03 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.301 2.001 . . . . 0.0 113.108 -174.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 23.2 p -86.59 106.58 10.82 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.648 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 6.2 Cg_exo -81.56 82.64 2.32 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.122 2.548 . . . . 0.0 112.024 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.61 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 26.8 t70 -69.23 130.99 90.67 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.72 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.78 -26.65 48.68 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.27 2.647 . . . . 0.0 113.761 -176.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -93.92 -52.36 4.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.702 0.286 . . . . 0.0 110.902 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.61 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.01 -27.18 61.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.341 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.444 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -60.44 -26.43 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.459 0.647 . . . . 0.0 109.618 178.086 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -101.53 17.83 21.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.897 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -90.66 133.68 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.123 0.487 . . . . 0.0 110.368 -176.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -55.95 -39.41 71.69 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -63.68 -38.95 93.03 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.43 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.444 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 43.1 ttm -57.6 -38.74 75.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.002 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.84 -38.78 83.06 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.079 0.466 . . . . 0.0 110.141 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -62.01 -39.8 93.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.683 177.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -41.82 86.67 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.437 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 69.1 t -65.81 -41.59 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.353 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -60.79 -39.19 87.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.765 176.004 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -64.9 -38.22 90.24 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 175.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.63 97.24 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.005 0.431 . . . . 0.0 109.851 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.592 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 29.6 mmtp -57.91 -49.92 75.12 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.578 0.704 . . . . 0.0 111.16 173.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -54.78 -46.24 74.4 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.841 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 639' ' ' MET . 8.0 t -56.71 -50.63 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.488 175.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.592 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.5 OUTLIER -58.69 -38.52 78.44 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.501 -178.479 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -62.95 -46.59 93.25 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.379 178.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -63.89 -43.54 95.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.126 0.488 . . . . 0.0 110.341 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.585 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 20.5 mmt -64.16 -38.0 89.49 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.754 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -51.94 -36.89 50.82 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.623 0.577 . . . . 0.0 111.773 -177.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.24 -49.12 68.3 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.548 176.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 642' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 644' ' ' ASN . 18.7 m -64.69 -37.16 86.65 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.987 178.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -51.0 20.8 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 116.423 2.009 . . . . 0.0 116.423 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 642' ' ' SER . 0.2 OUTLIER -77.29 17.26 0.5 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 -177.83 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 68.1 m -155.39 135.3 12.84 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -54.59 -49.93 69.23 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.662 0.268 . . . . 0.0 111.557 -176.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.89 -40.18 96.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -176.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -64.6 -46.33 83.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.907 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.11 -49.37 74.05 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -178.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -64.73 -38.89 92.52 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -65.89 -45.35 82.35 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.772 -174.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.405 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 91.7 mt -60.25 -49.87 75.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.122 -178.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.585 ' O ' HG13 ' A' ' 657' ' ' ILE . 11.0 mt -62.81 -46.86 86.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.056 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.02 74.0 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.84 -40.5 95.52 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.392 0.615 . . . . 0.0 109.92 -178.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.477 ' HG2' HD11 ' B' ' 845' ' ' LEU . 13.0 ttpp -61.08 -43.28 99.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.447 178.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 653' ' ' LEU . 87.1 mt -60.55 -44.99 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.654 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 658' ' ' TYR . . . . . 0.427 ' CD2' ' HE3' ' A' ' 662' ' ' LYS . 3.3 t80 -61.09 -37.1 81.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -55.2 -45.55 75.85 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 110.905 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.424 HG13 HD13 ' B' ' 845' ' ' LEU . 0.4 OUTLIER -64.3 -38.46 82.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.048 177.146 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -65.64 -38.27 88.89 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 662' ' ' LYS . . . . . 0.427 ' HE3' ' CD2' ' A' ' 658' ' ' TYR . 98.8 mttt -60.56 -43.13 97.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.262 177.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 2.1 mm-40 -59.17 -46.85 87.31 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.418 176.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.36 -45.11 94.66 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.165 0.29 . . . . 0.0 111.003 -178.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -64.55 -49.26 71.93 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.799 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 666' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 669' ' ' ARG . 7.1 tp10 -59.4 -49.28 78.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.71 -175.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 0.1 OUTLIER -66.39 -39.48 89.08 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.605 -177.877 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 668' ' ' ARG . . . . . 0.497 ' HG2' HD11 ' B' ' 854' ' ' LEU . 57.3 mtm180 -75.53 -21.02 58.31 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.842 0.83 . . . . 0.0 110.545 -177.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 666' ' ' GLU . 59.0 ttt180 -67.09 -30.15 70.11 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 114.112 -1.404 . . . . 0.0 110.672 174.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 10.3 t -84.65 9.64 13.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.993 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 22.6 ptt-85 -63.22 161.92 12.87 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.044 0.45 . . . . 0.0 111.269 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 98.3 mt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.621 -0.704 . . . . 0.0 109.62 176.86 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 121.341 0.591 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -90.43 123.06 33.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.405 -175.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 74.14 64.94 2.29 Favored Glycine 0 CA--C 1.505 -0.536 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.722 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -123.54 -69.08 0.83 Allowed 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.13 -0.535 . . . . 0.0 111.381 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 6.8 mt -104.93 145.17 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.477 HD11 ' HG2' ' A' ' 656' ' ' LYS . 5.1 mp -101.88 151.6 38.0 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -178.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.84 130.72 35.41 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.17 2.58 . . . . 0.0 113.355 -176.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 847' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' B' ' 850' ' ' MET . 46.8 m -55.74 -36.77 67.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.83 177.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -55.23 -41.14 71.7 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -177.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 16.4 mm -64.58 -38.48 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.614 ' O ' HG12 ' B' ' 853' ' ' VAL . 4.6 mmt -62.22 -38.93 91.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.578 175.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -57.33 -38.97 74.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.669 176.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -61.21 -42.47 98.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.758 -176.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 853' ' ' VAL . . . . . 0.614 HG12 ' O ' ' B' ' 850' ' ' MET . 11.4 p -65.19 -38.09 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 120.878 0.37 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 854' ' ' LEU . . . . . 0.497 HD11 ' HG2' ' A' ' 668' ' ' ARG . 3.9 mm? -65.66 -38.64 89.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.592 0.234 . . . . 0.0 110.933 173.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -74.2 -49.25 24.27 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.784 0.326 . . . . 0.0 111.047 -176.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -104.8 126.93 52.37 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 857' ' ' THR . . . . . 0.426 ' HA ' ' HD3' ' B' ' 858' ' ' PRO . 54.9 m -148.93 121.09 4.35 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 858' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 857' ' ' THR . 24.5 Cg_exo . . . . . 0 C--O 1.251 1.162 0 C-N-CA 122.94 2.427 . . . . 0.0 112.121 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.577 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 15.4 m -144.24 163.1 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -174.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.467 ' O ' ' HD2' ' A' ' 588' ' ' ARG . 5.9 ppt_? -72.89 14.24 0.3 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -176.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -131.5 121.05 23.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.703 0.287 . . . . 0.0 110.356 175.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 83.88 53.87 3.22 Favored Glycine 0 C--N 1.333 0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.439 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.54 -51.56 5.84 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.524 0.678 . . . . 0.0 111.273 -172.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -96.73 4.28 51.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.753 -169.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.436 ' C ' ' H ' ' A' ' 595' ' ' VAL . 15.1 pt-20 -60.1 -25.99 65.86 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -172.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -75.73 24.15 0.12 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.187 0.518 . . . . 0.0 111.571 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.496 HG13 HD23 ' A' ' 599' ' ' LEU . 61.0 t -138.0 133.97 44.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 173.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.596 HG23 ' H ' ' A' ' 599' ' ' LEU . 4.0 t -92.07 156.42 17.4 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.27 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -63.9 -38.75 92.22 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -55.8 -39.47 71.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.753 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.605 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 19.8 tp -56.28 -49.97 72.74 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.719 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -64.91 -44.12 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.604 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 17.7 p -64.88 -39.16 93.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.936 0.398 . . . . 0.0 110.198 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -56.28 -47.83 77.84 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.331 175.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 37.7 mt -62.22 -38.53 89.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.147 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 608' ' ' VAL . 53.0 t -64.28 -49.69 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.333 . . . . 0.0 110.535 -178.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -65.38 -40.0 92.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.949 0.404 . . . . 0.0 110.316 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -61.64 -39.54 91.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.482 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.88 -44.94 91.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.79 176.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.572 HG13 HD11 ' A' ' 628' ' ' LEU . 94.7 t -55.76 -45.81 79.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 121.029 0.443 . . . . 0.0 110.783 173.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -55.73 -39.91 71.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.209 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.64 92.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.48 178.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.2 mt -78.14 -27.7 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.511 -177.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -148.13 89.78 5.16 Favored Pre-proline 0 C--N 1.328 -0.363 0 C-N-CA 121.236 -0.185 . . . . 0.0 110.578 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -77.22 -36.84 1.21 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 121.733 1.622 . . . . 0.0 112.605 -176.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.494 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 35.3 p -64.91 126.04 90.29 Favored Pre-proline 0 C--O 1.235 0.325 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 6.0 Cg_exo -81.67 76.12 4.51 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.999 2.466 . . . . 0.0 111.352 174.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 21.0 m-20 -86.01 113.74 53.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.951 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 10.7 Cg_endo -54.06 -32.94 71.38 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 123.108 2.538 . . . . 0.0 113.278 -176.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -71.27 -50.95 27.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.506 178.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.417 ' HB2' ' HB3' ' B' ' 858' ' ' PRO . . . -59.14 -32.49 69.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.878 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -36.69 74.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.144 0.497 . . . . 0.0 110.226 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -103.23 16.43 26.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.985 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -99.37 131.94 45.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.905 0.383 . . . . 0.0 110.1 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -54.96 -34.76 63.58 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.943 177.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.498 ' HB2' ' CE2' ' B' ' 852' ' ' PHE . 10.3 ptt180 -53.15 -38.53 62.81 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 121.214 -0.194 . . . . 0.0 110.888 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.533 ' O ' HG23 ' A' ' 629' ' ' VAL . 38.7 ttm -62.07 -38.34 88.43 Favored 'General case' 0 CA--C 1.527 0.085 0 CA-C-O 120.626 0.25 . . . . 0.0 110.736 178.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -58.04 -39.34 78.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.406 -177.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -61.83 -48.69 79.46 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.084 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.572 HD11 HG13 ' A' ' 608' ' ' VAL . 1.1 pp -66.15 -36.78 84.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.143 -178.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 625' ' ' MET . 81.8 t -63.62 -40.62 89.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.061 0.458 . . . . 0.0 110.068 176.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -58.24 -38.72 77.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.259 177.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -60.19 -39.3 86.02 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.6 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.94 99.03 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.936 0.398 . . . . 0.0 110.349 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 30.0 mmtp -54.44 -49.57 69.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.953 173.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 75.8 mmtt -55.25 -47.89 74.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.338 176.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.638 ' O ' ' HG2' ' A' ' 639' ' ' MET . 16.8 t -55.86 -51.34 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.648 176.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.6 OUTLIER -60.16 -39.34 86.08 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.544 -178.085 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -61.84 -45.25 96.59 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.597 177.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -64.18 -44.98 90.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.053 0.454 . . . . 0.0 110.901 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.638 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 21.9 mmt -63.92 -36.01 82.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.521 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -49.67 -38.16 31.59 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.16 -173.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.47 -50.68 62.49 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 120.304 -0.559 . . . . 0.0 110.884 177.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 642' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 644' ' ' ASN . 9.3 m -64.3 -36.96 85.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.214 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.91 21.21 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.782 1.633 . . . . 0.0 115.318 178.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.482 ' H ' ' C ' ' A' ' 642' ' ' SER . 63.9 t30 -70.18 -9.87 57.08 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 25.6 m -132.34 142.57 49.38 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -55.5 -50.53 69.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.718 0.294 . . . . 0.0 111.606 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -62.39 -40.93 98.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.987 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.26 -47.14 86.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.812 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.85 -49.99 73.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.205 -175.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -64.21 -37.99 89.46 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 120.713 0.292 . . . . 0.0 111.654 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -64.3 -49.06 73.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.909 -174.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.589 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 75.8 mt -61.39 -50.31 73.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.132 -176.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.472 ' CD1' HD13 ' A' ' 603' ' ' LEU . 9.1 mt -61.75 -44.51 96.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.122 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.52 -47.25 79.74 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.662 -178.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 17.4 tt0 -59.71 -47.79 84.25 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.644 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 30.1 mmmt -63.63 -41.08 98.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.584 -176.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.533 ' O ' ' HG3' ' A' ' 661' ' ' GLN . 75.6 mt -62.31 -43.83 98.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -64.54 -39.05 93.04 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.751 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 74.5 mmtt -60.81 -45.14 95.59 Favored 'General case' 0 C--O 1.23 0.078 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.607 -177.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.641 HG13 HD13 ' B' ' 845' ' ' LEU . 1.4 mt -63.86 -38.13 81.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.899 177.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 661' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 51.7 mt-30 -65.36 -39.53 92.46 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -63.23 -40.13 96.58 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.089 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.604 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 23.6 mm-40 -61.12 -42.54 98.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.193 177.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 83.5 mt -56.49 -45.36 81.04 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 110.647 179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.27 -39.37 93.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.052 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.99 -38.21 87.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.832 178.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 27.4 mmmt -60.87 -41.52 96.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.257 0.551 . . . . 0.0 109.553 175.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 668' ' ' ARG . . . . . 0.465 ' HA ' ' H ' ' A' ' 672' ' ' LEU . 27.7 tpt180 -68.08 -24.43 65.05 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.632 0.729 . . . . 0.0 111.367 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -52.08 -35.41 47.54 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 113.841 -1.527 . . . . 0.0 112.806 -176.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 670' ' ' SER . . . . . 0.563 ' O ' ' HB2' ' A' ' 671' ' ' ARG . 1.2 t -100.78 -48.97 4.3 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 119.659 -0.816 . . . . 0.0 111.474 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 670' ' ' SER . 25.4 tpt180 170.86 68.91 0.0 OUTLIER 'General case' 0 C--N 1.348 0.542 0 CA-C-N 118.225 0.466 . . . . 0.0 110.328 168.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 672' ' ' LEU . . . . . 0.465 ' H ' ' HA ' ' A' ' 668' ' ' ARG . 95.9 mt . . . . . 0 C--O 1.242 0.698 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.843 175.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 121.044 0.45 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -80.2 -0.63 37.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.462 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 99.15 136.59 9.42 Favored Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.185 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -61.68 -38.86 89.35 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 15.1 mt -73.61 137.16 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.033 177.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.641 HD13 HG13 ' A' ' 660' ' ' ILE . 3.7 mp -95.11 154.3 39.6 Favored Pre-proline 0 C--N 1.328 -0.354 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -176.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -47.33 118.79 3.09 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.917 3.078 . . . . 0.0 113.944 -176.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 847' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' B' ' 850' ' ' MET . 22.3 t -55.66 -35.33 65.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.386 177.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -53.63 -39.92 65.39 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -174.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 26.7 mm -64.38 -39.21 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.451 ' HB2' ' O ' ' B' ' 847' ' ' SER . 0.0 OUTLIER -60.88 -41.45 96.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.115 174.475 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -59.1 -40.73 86.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.578 174.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 852' ' ' PHE . . . . . 0.498 ' CE2' ' HB2' ' A' ' 624' ' ' ARG . 14.1 t80 -64.62 -48.1 76.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 -176.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.65 -46.26 89.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.463 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.41 -40.22 93.1 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -75.55 -27.98 58.86 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -170.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -93.88 128.05 39.97 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.768 -177.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 19.5 m -89.93 120.99 69.32 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.502 178.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 858' ' ' PRO . . . . . 0.424 ' HB3' HH21 ' A' ' 624' ' ' ARG . 74.7 Cg_endo . . . . . 0 C--O 1.249 1.055 0 C-N-CA 122.805 2.337 . . . . 0.0 112.658 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.784 0 N-CA-C 112.651 -0.179 . . . . 0.0 112.651 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 34.4 m -109.84 155.35 11.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.898 0.38 . . . . 0.0 111.208 -175.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.448 ' HD2' ' C ' ' A' ' 588' ' ' ARG . 4.9 ppt_? -109.71 3.19 20.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.45 0.643 . . . . 0.0 109.996 178.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -107.9 130.26 55.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.765 176.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 590' ' ' GLY . . . . . 0.759 ' O ' ' HG2' ' A' ' 593' ' ' GLU . . . -179.21 69.84 0.07 OUTLIER Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 110.644 -0.983 . . . . 0.0 110.644 -174.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.525 ' HA ' ' NE2' ' A' ' 594' ' ' HIS . 5.2 m0 -57.79 -39.57 77.84 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -172.186 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -66.16 -20.0 66.01 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.759 ' HG2' ' O ' ' A' ' 590' ' ' GLY . 7.7 pt-20 -78.78 -22.53 46.23 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.342 -176.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.525 ' NE2' ' HA ' ' A' ' 591' ' ' TRP . 13.5 p80 -115.09 40.62 2.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.038 0.446 . . . . 0.0 111.993 -178.072 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.455 HG13 HD23 ' A' ' 599' ' ' LEU . 46.0 t -130.03 129.23 65.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 167.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.8 t -96.54 163.53 12.99 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.56 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -62.99 -39.63 95.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.175 0.512 . . . . 0.0 109.877 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -58.16 -38.85 77.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.834 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.554 ' H ' HG23 ' A' ' 596' ' ' THR . 17.4 tp -55.46 -49.82 71.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.841 0.353 . . . . 0.0 110.447 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.425 ' HG2' ' OH ' ' A' ' 649' ' ' TYR . 38.1 mtm180 -65.12 -47.15 78.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.973 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 21.0 p -65.0 -39.68 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.463 0.173 . . . . 0.0 111.216 -176.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -55.64 -43.98 76.73 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.157 0.503 . . . . 0.0 110.251 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.457 HD13 ' CD1' ' A' ' 653' ' ' LEU . 46.7 mt -64.23 -36.42 84.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.147 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.18 -43.9 94.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.96 0.41 . . . . 0.0 110.269 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -62.19 -38.78 90.41 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.534 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -60.08 -40.5 89.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.684 0.278 . . . . 0.0 110.809 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.76 -45.26 87.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.891 178.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.533 HG13 HD11 ' A' ' 628' ' ' LEU . 99.1 t -58.6 -46.88 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.22 0.534 . . . . 0.0 110.606 175.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -55.45 -40.68 71.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.946 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.21 95.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.605 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 39.8 mt -78.61 -33.46 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.786 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -154.43 102.81 2.38 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.767 -172.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -81.86 -38.19 0.22 Allowed 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 122.161 1.907 . . . . 0.0 113.139 -175.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 22.9 p -73.11 111.39 11.38 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -81.2 68.73 8.15 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.078 2.519 . . . . 0.0 111.345 176.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 13.5 t70 -69.56 129.02 91.83 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.949 -178.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -56.15 -26.28 59.52 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.137 2.558 . . . . 0.0 113.715 -176.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -85.91 -47.61 9.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.401 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -59.04 -30.88 68.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.47 176.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -31.28 72.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.178 0.513 . . . . 0.0 109.699 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -97.55 15.14 24.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.687 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -99.87 133.54 44.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 -176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 623' ' ' ARG . . . . . 0.429 ' HD3' ' OE1' ' A' ' 626' ' ' GLU . 34.4 mmt180 -56.68 -37.68 71.2 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.954 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -64.6 -38.84 92.38 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.637 -174.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.424 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 40.6 ttm -57.09 -39.41 74.96 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.923 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 626' ' ' GLU . . . . . 0.429 ' OE1' ' HD3' ' A' ' 623' ' ' ARG . 48.4 mt-10 -61.34 -38.38 86.69 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.631 0.253 . . . . 0.0 110.631 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -60.06 -42.49 94.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.533 HD11 HG13 ' A' ' 608' ' ' VAL . 0.7 OUTLIER -67.44 -38.88 85.21 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 625' ' ' MET . 78.4 t -65.52 -45.44 92.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.296 0.569 . . . . 0.0 109.785 178.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -60.47 -37.63 81.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.705 176.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -62.02 -39.17 91.37 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.71 99.35 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.779 0.323 . . . . 0.0 110.185 176.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.694 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 30.2 mmtp -55.24 -49.42 72.07 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.488 0.661 . . . . 0.0 111.605 172.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -54.79 -45.02 74.25 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.286 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.488 ' O ' ' HG2' ' A' ' 639' ' ' MET . 9.2 t -56.62 -51.45 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.124 175.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.694 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 1.5 pp20? -56.42 -39.69 73.47 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 120.617 0.246 . . . . 0.0 110.922 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.42 -48.49 73.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.386 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.45 -42.34 96.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 111.056 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 24.2 mmt -57.77 -39.19 76.86 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.298 177.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -51.57 -37.05 47.96 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.7 0.625 . . . . 0.0 111.773 -173.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.53 -50.27 63.76 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.798 178.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 642' ' ' SER . . . . . 0.515 ' C ' ' H ' ' A' ' 644' ' ' ASN . 2.9 t -66.03 -37.68 86.49 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.893 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 643' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 645' ' ' SER . . . -55.84 21.61 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.813 1.645 . . . . 0.0 114.82 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.515 ' H ' ' C ' ' A' ' 642' ' ' SER . 14.2 t-20 -79.41 23.23 0.4 Allowed 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.623 0.725 . . . . 0.0 109.677 -175.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 645' ' ' SER . . . . . 0.409 ' H ' ' C ' ' A' ' 643' ' ' ALA . 70.4 m -159.92 134.89 7.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -54.76 -51.08 66.8 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -171.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -63.46 -40.97 98.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.296 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.601 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 43.9 tt0 -59.34 -46.5 88.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.398 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 649' ' ' TYR . . . . . 0.425 ' OH ' ' HG2' ' A' ' 600' ' ' ARG . 2.6 t80 -55.9 -49.69 72.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.245 -177.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -65.41 -38.79 90.99 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -65.33 -42.69 92.65 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.552 -177.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 83.1 mt -60.3 -49.45 77.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.869 -175.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.457 ' CD1' HD13 ' A' ' 603' ' ' LEU . 8.0 mt -64.68 -48.93 72.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.212 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.86 96.31 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.767 0.318 . . . . 0.0 111.758 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 25.3 tt0 -63.75 -42.01 97.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.152 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.571 ' CG ' HD11 ' B' ' 845' ' ' LEU . 23.3 ttmm -60.87 -44.33 97.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 177.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 653' ' ' LEU . 79.0 mt -64.07 -42.49 95.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -61.6 -37.99 85.96 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 75.0 mmtt -59.22 -47.52 85.05 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.765 0.317 . . . . 0.0 110.292 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.578 HG12 ' SD ' ' B' ' 850' ' ' MET . 0.2 OUTLIER -61.74 -37.52 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.737 177.694 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -65.0 -42.36 94.57 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -65.91 -40.59 91.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.835 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.666 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 70.8 mm-40 -62.45 -43.52 98.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.126 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 85.2 mt -61.27 -49.03 78.73 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.166 0.291 . . . . 0.0 111.2 -178.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.27 -38.99 91.99 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.32 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -56.58 -41.48 77.03 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.014 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.666 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 40.1 mmtm -64.46 -42.21 96.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.51 -178.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -75.92 -21.02 57.52 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.99 0.9 . . . . 0.0 110.759 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -74.85 -32.41 61.89 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.147 -1.388 . . . . 0.0 110.175 175.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 12.8 m -95.81 -1.53 49.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.041 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 671' ' ' ARG . 6.5 ttp180 -58.23 153.78 14.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.363 177.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 C--O 1.246 0.895 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.221 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 CA--C 1.519 -0.214 0 CA-C-O 120.881 0.372 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . 68.27 -27.8 0.14 Allowed 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 177.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 72.95 94.17 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.745 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -57.25 -60.09 4.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.892 0.377 . . . . 0.0 111.757 -177.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 6.2 mt -106.24 145.64 13.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.544 -173.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.571 HD11 ' CG ' ' A' ' 656' ' ' LYS . 6.3 mp -94.08 157.02 38.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.687 -177.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.62 135.57 56.21 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.411 2.74 . . . . 0.0 112.889 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 32.5 t -55.43 -37.33 67.53 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.073 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.28 -47.58 69.04 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -172.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 22.3 mm -65.23 -39.86 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.048 0.452 . . . . 0.0 110.071 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.578 ' SD ' HG12 ' A' ' 660' ' ' ILE . 10.8 mmt -64.05 -41.26 97.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.603 177.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -61.08 -39.05 88.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.605 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -57.06 -48.41 78.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.498 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 853' ' ' VAL . . . . . 0.48 HG12 ' O ' ' B' ' 850' ' ' MET . 11.7 p -64.47 -39.45 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.947 -178.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 854' ' ' LEU . . . . . 0.423 HD22 HG13 ' B' ' 853' ' ' VAL . 3.9 mm? -64.63 -40.73 95.99 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.652 0.263 . . . . 0.0 110.71 175.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -29.0 61.06 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.549 -177.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -92.51 132.42 36.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.999 0.428 . . . . 0.0 110.735 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 8.2 m -123.24 85.92 51.65 Favored Pre-proline 0 N--CA 1.449 -0.501 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.024 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo . . . . . 0 C--O 1.25 1.097 0 C-N-CA 123.012 2.475 . . . . 0.0 112.123 -178.492 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 113.501 0.16 . . . . 0.0 113.501 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 34.9 m -81.23 154.81 4.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 120.823 0.344 . . . . 0.0 111.414 -174.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.405 ' HD2' ' N ' ' A' ' 589' ' ' LYS . 0.0 OUTLIER -97.86 -19.09 18.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.532 0.682 . . . . 0.0 109.927 174.756 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.405 ' N ' ' HD2' ' A' ' 588' ' ' ARG . 28.5 ttmt -111.78 101.42 9.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.301 173.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -157.08 67.28 0.29 Allowed Glycine 0 N--CA 1.434 -1.473 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.498 -177.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.52 ' HE3' ' H ' ' A' ' 592' ' ' HIS . 0.0 OUTLIER -78.18 -62.93 1.52 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.556 0.694 . . . . 0.0 110.225 179.39 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 592' ' ' HIS . . . . . 0.52 ' H ' ' HE3' ' A' ' 591' ' ' TRP . 25.7 m80 -83.01 -1.03 51.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.047 -0.978 . . . . 0.0 112.69 -170.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -51.55 -38.72 55.64 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -174.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -64.83 -4.41 4.38 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.447 HG13 HD23 ' A' ' 599' ' ' LEU . 54.9 t -139.14 131.69 37.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 118.336 0.516 . . . . 0.0 110.204 174.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 599' ' ' LEU . 4.9 t -95.48 159.4 15.01 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.626 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -62.34 -39.74 94.1 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.066 0.46 . . . . 0.0 110.213 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -57.25 -40.53 77.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.851 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.554 ' H ' HG23 ' A' ' 596' ' ' THR . 21.0 tp -56.02 -50.31 71.26 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.845 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.505 ' HD3' ' OE1' ' A' ' 636' ' ' GLU . 66.5 mtt-85 -59.14 -50.53 73.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.113 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 37.4 m -64.42 -33.94 77.04 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -65.64 -49.08 69.97 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-O 121.251 0.548 . . . . 0.0 109.761 -174.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.479 HD13 ' CD1' ' A' ' 653' ' ' LEU . 35.9 mt -61.61 -39.01 89.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.439 -179.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 600' ' ' ARG . 53.0 t -59.22 -41.53 84.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 111.021 179.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -63.72 -38.03 89.56 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.612 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.3 -40.68 97.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.684 0.278 . . . . 0.0 110.744 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.11 -49.2 70.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.116 176.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 80.9 t -55.49 -43.49 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.082 174.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -56.6 -40.25 74.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.057 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.53 87.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.479 ' O ' HG21 ' B' ' 853' ' ' VAL . 24.3 mt -79.47 -37.53 18.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.745 -178.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -143.15 92.24 6.83 Favored Pre-proline 0 N--CA 1.451 -0.398 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -170.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -76.8 -35.58 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 121.947 1.765 . . . . 0.0 112.726 -174.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 23.1 p -63.61 111.01 4.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -176.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -82.2 73.18 5.78 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.101 2.534 . . . . 0.0 111.57 177.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 15.6 t70 -88.7 127.46 56.18 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.939 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -57.1 -32.15 92.44 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.357 2.705 . . . . 0.0 113.636 -175.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.61 -44.29 13.64 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -56.61 -29.9 62.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.305 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -30.02 71.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.088 0.47 . . . . 0.0 110.378 177.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -103.29 18.38 21.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.2 0.524 . . . . 0.0 110.481 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 622' ' ' ASP . . . . . 0.57 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 4.0 t70 -95.91 133.78 39.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.397 -173.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 623' ' ' ARG . . . . . 0.412 ' NH1' ' HG2' ' A' ' 626' ' ' GLU . 27.3 mmm180 -61.04 -39.31 89.34 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.083 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.583 ' HG3' ' CE2' ' B' ' 852' ' ' PHE . 20.4 ttp180 -55.08 -48.31 73.71 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 122.382 0.273 . . . . 0.0 110.727 175.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.555 ' O ' HG23 ' A' ' 629' ' ' VAL . 39.8 ttm -64.21 -40.44 96.08 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.052 175.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 626' ' ' GLU . . . . . 0.412 ' HG2' ' NH1' ' A' ' 623' ' ' ARG . 8.0 tp10 -60.74 -40.25 91.72 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -174.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -64.15 -41.73 97.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.566 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.0 OUTLIER -67.31 -38.76 85.47 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.086 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 625' ' ' MET . 88.4 t -64.57 -39.88 87.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.171 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -55.96 -39.19 71.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.402 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -65.05 -36.93 85.93 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.546 ' O ' ' HB ' ' A' ' 635' ' ' VAL . . . -59.13 -37.64 77.74 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.169 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.563 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -63.73 -40.8 97.63 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.853 176.265 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -57.86 -38.04 75.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.818 0.342 . . . . 0.0 110.16 176.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.592 ' O ' ' HG2' ' A' ' 639' ' ' MET . 5.4 t -54.32 -49.62 62.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.977 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.563 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.0 OUTLIER -56.0 -38.57 70.66 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 178.363 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.57 -48.69 75.49 Favored Glycine 0 C--O 1.227 -0.288 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.641 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.71 -42.85 97.88 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.688 0.28 . . . . 0.0 111.664 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 19.7 mmt -59.62 -36.94 77.33 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.276 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -48.47 -37.62 17.84 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.728 -1.124 . . . . 0.0 113.121 -170.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -65.35 -53.16 47.61 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.051 0.841 . . . . 0.0 110.765 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 642' ' ' SER . . . . . 0.464 ' C ' ' H ' ' A' ' 644' ' ' ASN . 69.8 m -66.95 -39.11 87.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.676 177.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -58.83 20.02 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.464 ' H ' ' C ' ' A' ' 642' ' ' SER . 66.4 t30 -68.97 0.69 4.17 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.928 0.394 . . . . 0.0 110.519 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 45.1 p -137.42 150.46 47.66 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -57.78 -50.35 73.54 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.622 0.231 . . . . 0.0 111.622 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.47 -42.56 96.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.432 -175.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.499 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.6 tp10 -59.64 -41.89 91.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.612 -178.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -47.72 80.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.059 -175.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -64.16 -39.54 94.24 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.059 0.457 . . . . 0.0 110.88 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -65.52 -46.87 77.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.324 -172.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 39.8 mt -59.35 -49.94 75.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.307 -178.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.479 ' CD1' HD13 ' A' ' 603' ' ' LEU . 10.6 mt -60.88 -46.85 88.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.926 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.89 84.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.744 0.307 . . . . 0.0 111.613 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -63.37 -49.02 75.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.577 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.506 ' HG2' HD11 ' B' ' 845' ' ' LEU . 31.3 ttmt -65.55 -40.21 92.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.457 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 653' ' ' LEU . 78.5 mt -64.44 -40.48 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.641 0.258 . . . . 0.0 110.831 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -61.9 -37.17 83.64 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 656' ' ' LYS . 72.8 mmtt -55.7 -45.13 77.91 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-O 120.873 0.368 . . . . 0.0 110.41 177.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.609 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 0.1 OUTLIER -59.0 -38.34 73.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.034 177.692 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -65.78 -38.47 89.1 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.993 0.425 . . . . 0.0 110.06 -176.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -65.17 -46.99 78.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.451 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 21.5 mm-40 -65.2 -44.72 87.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.586 -177.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 89.7 mt -58.89 -44.95 91.3 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.735 0.302 . . . . 0.0 110.285 178.226 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -60.21 -42.37 94.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.302 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.92 -51.07 68.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.295 -177.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 0.2 OUTLIER -68.63 -40.03 80.5 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 -178.662 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 668' ' ' ARG . . . . . 0.404 ' HA ' ' HB2' ' A' ' 671' ' ' ARG . 39.8 ptt180 -69.9 -6.75 34.93 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.408 0.623 . . . . 0.0 111.65 -173.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -49.04 -35.37 15.53 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.572 -1.195 . . . . 0.0 110.845 170.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 92.2 p -113.35 -50.21 2.87 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.445 176.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.404 ' HB2' ' HA ' ' A' ' 668' ' ' ARG . 58.1 ttt180 50.83 64.95 1.62 Allowed 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.482 0.489 . . . . 0.0 110.775 173.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.233 -177.79 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 . . . . . 0 N--CA 1.466 0.363 0 CA-C-O 121.13 0.491 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -90.99 56.39 3.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.31 0.576 . . . . 0.0 109.619 176.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 102.29 107.04 3.05 Favored Glycine 0 N--CA 1.439 -1.113 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -173.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.89 53.88 1.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.191 0.52 . . . . 0.0 111.355 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 17.2 mt -108.08 146.63 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.286 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.506 HD11 ' HG2' ' A' ' 656' ' ' LYS . 5.7 mp -79.63 140.15 55.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.28 129.91 10.86 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.831 3.021 . . . . 0.0 113.494 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 36.9 p -54.35 -36.83 64.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.982 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -54.62 -47.98 72.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.785 -178.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 28.0 mm -65.67 -40.85 89.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.038 0.447 . . . . 0.0 110.462 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.413 ' HB3' ' HE3' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -64.19 -42.61 96.6 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.601 177.463 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.06 -40.25 95.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.721 174.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 852' ' ' PHE . . . . . 0.583 ' CE2' ' HG3' ' A' ' 624' ' ' ARG . 4.2 t80 -57.15 -48.73 77.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.445 -176.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 853' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 611' ' ' ILE . 3.3 p -65.61 -42.9 93.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.583 179.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.59 -38.53 91.32 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.564 0.221 . . . . 0.0 110.82 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 855' ' ' LYS . . . . . 0.454 ' HA ' ' HE3' ' B' ' 855' ' ' LYS . 2.2 tpmt? -64.3 -23.13 67.19 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.06 0.457 . . . . 0.0 110.58 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -106.64 161.7 14.4 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.191 0.52 . . . . 0.0 111.149 -176.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 86.2 m -147.36 117.91 4.49 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.789 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo . . . . . 0 C--O 1.249 1.069 0 C-N-CA 122.808 2.339 . . . . 0.0 112.49 -178.973 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.746 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 587' ' ' VAL . . . . . 0.499 HG23 ' HD2' ' A' ' 589' ' ' LYS . 34.1 m -99.08 158.62 3.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 120.835 0.35 . . . . 0.0 110.535 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.09 4.39 10.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -169.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.499 ' HD2' HG23 ' A' ' 587' ' ' VAL . 0.0 OUTLIER -50.27 131.97 24.12 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.104 0.478 . . . . 0.0 110.419 176.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -173.66 74.63 0.09 OUTLIER Glycine 0 N--CA 1.439 -1.123 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 -176.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -66.13 0.9 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.368 0.604 . . . . 0.0 110.508 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -92.18 1.39 57.24 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -169.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.59 -40.32 91.33 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -175.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 9.56 1.41 Allowed 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 178.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.46 HG13 HD23 ' A' ' 599' ' ' LEU . 42.9 t -128.82 131.4 68.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 O-C-N 121.846 -0.534 . . . . 0.0 111.056 175.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.528 HG23 ' H ' ' A' ' 599' ' ' LEU . 4.3 t -95.92 161.75 13.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.826 176.038 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -64.49 -39.73 94.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.521 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -56.23 -38.84 71.61 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.878 177.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.528 ' H ' HG23 ' A' ' 596' ' ' THR . 14.0 tp -54.55 -45.71 73.51 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.056 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -64.25 -49.64 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.375 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 50.6 p -64.72 -40.34 95.17 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.565 -173.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -58.13 -42.52 85.97 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.052 0.453 . . . . 0.0 110.354 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.452 HD13 HD13 ' A' ' 653' ' ' LEU . 36.5 mt -64.12 -37.41 87.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.844 178.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.23 -43.1 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.763 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -64.34 -39.86 94.72 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.145 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -62.58 -39.93 95.26 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.406 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.52 -48.03 83.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.121 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 90.8 t -61.26 -44.75 98.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 176.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.34 -39.36 72.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.852 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.1 84.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.588 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 25.2 mt -83.85 -32.41 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.743 -175.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -156.73 93.11 2.4 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -176.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 613' ' ' PRO . . . . . 0.432 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 42.6 Cg_endo -74.54 -32.38 6.2 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 121.95 1.767 . . . . 0.0 113.676 -169.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 23.6 p -81.8 108.68 11.85 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 3.7 Cg_exo -79.6 73.15 6.15 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.128 2.552 . . . . 0.0 111.521 177.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.34 127.82 93.54 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.249 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.44 -26.25 52.72 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.299 2.666 . . . . 0.0 113.861 -175.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.05 -51.99 7.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.187 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -57.77 -28.04 63.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.343 175.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -29.09 69.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.044 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -104.35 15.9 27.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.313 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -90.49 127.0 36.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.067 0.461 . . . . 0.0 109.888 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -56.62 -37.02 70.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.47 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -61.75 -38.97 89.94 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.227 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.43 ' O ' HG23 ' A' ' 629' ' ' VAL . 41.3 ttm -57.39 -37.91 73.42 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.765 175.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -58.21 -39.28 78.62 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.67 -40.18 86.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.337 177.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -38.78 84.13 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.491 177.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.637 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 89.0 t -63.29 -45.19 98.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.599 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.24 93.22 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.639 176.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -58.05 -41.35 83.12 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.08 79.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.844 0.354 . . . . 0.0 110.396 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.665 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 40.3 mmtm -54.88 -51.88 64.57 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.186 175.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -56.22 -47.69 77.93 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.602 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.528 ' O ' ' HG2' ' A' ' 639' ' ' MET . 12.8 t -56.53 -51.12 69.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.467 175.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.665 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.2 OUTLIER -58.65 -39.05 79.48 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.599 -179.553 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.45 -47.6 82.48 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.58 177.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -64.9 -46.49 81.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.675 0.274 . . . . 0.0 110.478 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.528 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.7 mmt -55.78 -36.06 66.95 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.912 177.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -52.3 -37.39 55.61 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.649 -176.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.28 -45.26 77.14 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.411 0.624 . . . . 0.0 110.31 176.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 642' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 644' ' ' ASN . 0.6 OUTLIER -63.44 -35.94 82.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.526 178.407 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.49 23.52 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.028 1.731 . . . . 0.0 115.036 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.481 ' H ' ' C ' ' A' ' 642' ' ' SER . 62.3 t30 -69.2 -0.46 6.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.835 0.35 . . . . 0.0 110.649 -175.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 27.6 p -148.89 145.46 27.46 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.186 174.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -55.36 -50.92 68.43 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -173.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -61.7 -42.94 99.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.08 -176.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.498 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 44.7 tt0 -61.23 -44.97 96.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.671 -178.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -56.72 -49.8 74.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.357 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.426 ' OH ' HD11 ' A' ' 599' ' ' LEU . 37.3 m-85 -67.39 -39.49 85.61 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 121.005 0.431 . . . . 0.0 110.704 -176.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -65.94 -43.12 88.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.738 -174.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 80.7 mt -62.42 -49.0 77.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.187 -177.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.504 ' O ' HG13 ' A' ' 657' ' ' ILE . 7.7 mt -63.65 -45.79 88.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 178.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.85 99.46 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.558 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -61.07 -40.44 93.68 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.43 ' O ' HG13 ' A' ' 660' ' ' ILE . 57.4 tttp -61.36 -43.89 98.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.096 176.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 653' ' ' LEU . 74.4 mt -62.77 -43.99 99.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 0.0 110.46 -178.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -65.07 -38.89 92.26 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -55.9 -48.55 75.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.049 0.452 . . . . 0.0 110.21 174.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.511 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 86.2 mt -59.76 -49.41 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.775 177.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -59.3 -38.32 79.94 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -62.48 -45.48 92.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.259 177.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -64.62 -38.92 92.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.814 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.623 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 90.8 mt -61.43 -40.92 96.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.161 0.505 . . . . 0.0 110.253 176.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.06 -41.69 86.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.297 0.57 . . . . 0.0 110.026 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -61.28 -41.59 97.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.606 -177.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.623 ' HG2' ' O ' ' A' ' 664' ' ' LEU . 23.1 pttp -60.14 -38.38 82.93 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.602 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -61.82 -29.78 70.39 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 122.047 0.927 . . . . 0.0 111.106 176.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -76.34 -29.29 57.18 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 114.116 -1.402 . . . . 0.0 110.276 -177.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 23.1 t -96.0 -6.25 39.29 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.725 -178.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -63.07 130.1 43.22 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.103 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 90.8 mt . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.809 -0.615 . . . . 0.0 109.599 -177.026 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 . . . . . 0 C--O 1.232 0.151 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -76.75 136.83 39.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.064 0.459 . . . . 0.0 111.699 -174.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 87.52 74.16 1.28 Allowed Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.988 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -103.18 -71.78 0.72 Allowed 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.71 0.29 . . . . 0.0 110.309 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 9.9 mt -95.62 146.59 6.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.6 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 845' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.4 130.26 72.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 120.748 0.309 . . . . 0.0 111.488 -175.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -73.39 171.5 17.57 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.866 2.377 . . . . 0.0 112.678 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 16.6 m -55.63 -50.35 70.41 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -168.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.7 -40.73 95.87 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -170.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 25.6 mm -63.84 -41.59 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.279 0.561 . . . . 0.0 109.755 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.482 ' O ' HD23 ' B' ' 854' ' ' LEU . 3.2 mmt -64.03 -39.36 93.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.401 176.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -55.54 -40.03 71.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.619 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -63.4 -49.72 72.67 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.099 0.249 . . . . 0.0 110.879 -177.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.57 -38.87 82.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.486 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 854' ' ' LEU . . . . . 0.482 HD23 ' O ' ' B' ' 850' ' ' MET . 3.8 mm? -64.06 -40.12 95.57 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.77 0.319 . . . . 0.0 111.247 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -83.7 -48.78 9.79 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -175.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -92.62 128.84 38.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.917 0.389 . . . . 0.0 110.492 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 40.2 m -147.66 106.47 3.75 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.359 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo . . . . . 0 C--O 1.247 0.973 0 C-N-CA 123.265 2.644 . . . . 0.0 112.408 -179.736 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.581 0 CA-C-O 120.393 -0.115 . . . . 0.0 113.074 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 25.2 m 42.19 -170.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.702 1.201 . . . . 0.0 112.867 -174.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' A' ' 588' ' ' ARG . 0.0 OUTLIER -109.47 -11.0 14.86 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 121.62 -0.675 . . . . 0.0 110.442 175.088 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.546 ' HD3' ' O ' ' A' ' 589' ' ' LYS . 1.8 tmtp? -111.79 93.79 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.739 0.78 . . . . 0.0 109.874 178.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -156.03 62.67 0.34 Allowed Glycine 0 N--CA 1.433 -1.503 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.275 178.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.415 ' HE3' ' H ' ' A' ' 592' ' ' HIS . 0.0 OUTLIER -83.41 -55.51 4.27 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.563 0.697 . . . . 0.0 109.291 176.484 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 592' ' ' HIS . . . . . 0.415 ' H ' ' HE3' ' A' ' 591' ' ' TRP . 26.6 m80 -96.86 5.72 50.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.061 -175.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -50.5 -27.0 5.81 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -170.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -83.36 29.92 0.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.05 0.453 . . . . 0.0 111.425 176.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.549 HG13 HD23 ' A' ' 599' ' ' LEU . 72.9 t -134.36 132.83 55.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.831 -0.804 . . . . 0.0 108.831 169.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.517 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.2 t -91.96 156.58 17.34 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.791 0.329 . . . . 0.0 110.83 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -64.37 -38.39 90.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.01 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.53 -38.8 69.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.356 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.549 HD23 HG13 ' A' ' 595' ' ' VAL . 15.9 tp -58.09 -49.89 75.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.619 177.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -64.91 -46.67 80.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.461 -178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 23.2 p -63.44 -40.47 97.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.268 -175.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -39.42 94.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.018 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.511 HD13 ' CD1' ' A' ' 653' ' ' LEU . 39.7 mt -65.07 -38.0 89.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.755 -178.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.68 -45.71 96.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.886 0.375 . . . . 0.0 110.612 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -62.53 -38.36 89.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.514 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -60.31 -40.65 91.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.743 0.306 . . . . 0.0 110.963 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.25 -41.08 94.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.058 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.512 HG13 HD11 ' A' ' 628' ' ' LEU . 70.2 t -61.55 -44.04 97.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.984 0.421 . . . . 0.0 110.197 174.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.1 -38.82 73.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.685 177.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.418 ' HB1' HG21 ' A' ' 660' ' ' ILE . . . -58.61 -39.18 79.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.76 178.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.403 HG13 ' CD1' ' A' ' 660' ' ' ILE . 23.7 mt -82.79 -35.14 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.355 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -155.55 101.93 2.2 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 -172.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -80.77 -31.9 1.29 Allowed 'Trans proline' 0 CA--C 1.528 0.219 0 C-N-CA 122.087 1.858 . . . . 0.0 112.981 -175.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 22.6 p -81.52 110.8 20.8 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -176.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -79.01 77.64 4.02 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.001 2.467 . . . . 0.0 111.619 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.634 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 14.3 t70 -71.11 129.15 89.66 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.892 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.94 -26.56 49.65 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.51 2.807 . . . . 0.0 113.839 -175.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -92.78 -47.06 7.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.937 0.399 . . . . 0.0 110.423 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.634 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.58 -28.72 63.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.742 178.041 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -33.22 71.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.092 0.472 . . . . 0.0 110.732 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -100.94 18.3 19.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.111 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 622' ' ' ASP . . . . . 0.472 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 16.5 t70 -94.67 130.11 41.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.189 0.518 . . . . 0.0 111.153 -174.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 623' ' ' ARG . . . . . 0.437 ' O ' ' HB3' ' A' ' 626' ' ' GLU . 26.8 mmt180 -59.98 -38.85 83.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.117 -178.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.598 ' HG3' ' CE2' ' B' ' 852' ' ' PHE . 10.2 ttp180 -57.22 -46.61 82.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.96 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.508 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 41.1 ttm -60.21 -37.79 81.35 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.571 0.224 . . . . 0.0 110.838 175.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 626' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 623' ' ' ARG . 14.1 tp10 -54.75 -39.49 68.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.849 -177.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -59.04 -44.28 91.75 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.312 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.512 HD11 HG13 ' A' ' 608' ' ' VAL . 0.9 OUTLIER -67.76 -38.43 83.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.381 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.498 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 60.1 t -64.43 -40.92 90.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.846 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -58.9 -39.01 80.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.164 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.491 ' HE2' HD23 ' B' ' 845' ' ' LEU . 42.6 t80 -64.44 -38.29 90.5 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 178.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.33 95.28 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.931 0.396 . . . . 0.0 110.084 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 629' ' ' VAL . 33.0 mmtm -55.71 -50.77 69.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.586 0.707 . . . . 0.0 111.41 172.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -55.22 -42.42 73.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.804 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.565 ' O ' ' HG2' ' A' ' 639' ' ' MET . 20.1 t -55.52 -48.49 77.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 175.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -55.97 -45.4 78.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.618 0.247 . . . . 0.0 110.673 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.05 -49.18 74.02 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.546 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.97 -46.1 86.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.963 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.565 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.6 mmt -62.65 -36.02 81.5 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.876 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -50.17 -37.91 37.03 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 123.631 0.582 . . . . 0.0 111.598 -175.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.77 -49.81 64.71 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.135 0.493 . . . . 0.0 110.64 176.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 642' ' ' SER . . . . . 0.498 ' C ' ' H ' ' A' ' 644' ' ' ASN . 4.2 t -64.81 -37.43 87.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.169 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.53 21.09 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.498 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.8 t30 -79.94 17.51 0.96 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.211 0.529 . . . . 0.0 109.834 -176.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 37.4 p -158.92 137.95 11.28 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 172.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -54.45 -50.45 67.66 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -169.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.55 -40.34 96.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.156 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.574 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 22.8 tt0 -62.07 -45.68 92.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.356 -178.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -55.96 -49.98 72.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.16 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -65.31 -39.2 92.18 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 120.537 0.208 . . . . 0.0 111.519 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -65.74 -42.8 90.57 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.788 -173.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 67.8 mt -62.55 -50.52 71.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.367 -176.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.511 ' CD1' HD13 ' A' ' 603' ' ' LEU . 9.7 mt -64.7 -47.35 78.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.25 -178.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.79 88.17 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.464 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -62.05 -42.94 99.71 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.369 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -60.29 -40.69 91.36 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.398 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 653' ' ' LEU . 58.9 mt -62.31 -42.97 97.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.282 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.11 -38.14 89.72 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.391 175.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 32.8 mmtp -57.79 -45.58 85.83 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 176.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.577 ' CD1' HD22 ' B' ' 845' ' ' LEU . 0.3 OUTLIER -59.11 -39.9 79.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 175.014 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -65.04 -39.72 93.75 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -65.53 -41.27 93.26 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.426 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 19.6 mm-40 -65.11 -49.31 70.47 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.896 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.19 -40.49 85.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.538 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 665' ' ' GLU . . . . . 0.71 ' O ' ' HG2' ' A' ' 669' ' ' ARG . 12.8 mm-40 -64.98 -49.61 69.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 174.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -56.2 -46.6 79.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.655 -172.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -61.66 -39.19 90.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.37 -179.521 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -72.16 -29.09 63.69 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.69 0.757 . . . . 0.0 111.22 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.71 ' HG2' ' O ' ' A' ' 665' ' ' GLU . 13.8 mmt180 -67.2 -31.6 72.1 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.857 178.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 22.0 t -90.52 3.97 52.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.707 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.89 175.21 0.29 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.031 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.323 -0.846 . . . . 0.0 111.787 -175.366 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 120.834 0.349 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -83.14 67.34 9.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 63.91 75.18 0.38 Allowed Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.722 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -122.33 -115.73 0.31 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.859 0.362 . . . . 0.0 110.738 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 10.9 mt -96.32 151.17 4.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.175 -173.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.577 HD22 ' CD1' ' A' ' 660' ' ' ILE . 5.0 mp -88.7 132.28 39.09 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.398 -176.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -46.1 130.65 13.7 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 124.195 3.263 . . . . 0.0 114.107 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.0 t -55.7 -38.91 70.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.351 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -60.6 -38.95 86.36 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.874 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 34.7 mm -64.64 -38.7 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 120.945 0.403 . . . . 0.0 110.164 176.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 31.2 mmt -62.41 -42.86 99.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.216 177.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.71 -39.7 94.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.794 171.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 852' ' ' PHE . . . . . 0.598 ' CE2' ' HG3' ' A' ' 624' ' ' ARG . 0.4 OUTLIER -59.19 -44.99 92.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.922 -174.381 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -64.21 -43.86 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.662 0.268 . . . . 0.0 111.28 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.38 -36.36 83.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.397 176.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -58.0 -27.46 63.53 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.83 0.347 . . . . 0.0 110.833 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -93.01 127.66 38.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.936 0.398 . . . . 0.0 110.058 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 3.1 m -134.37 80.7 51.36 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.994 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo . . . . . 0 C--O 1.25 1.08 0 C-N-CA 122.912 2.408 . . . . 0.0 112.345 -177.709 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.525 HG13 HD23 ' A' ' 599' ' ' LEU . 87.7 t -136.3 131.91 48.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 170.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.618 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.1 t -89.27 153.43 20.91 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.206 178.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.85 -39.54 81.59 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.85 -40.7 89.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.113 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.618 ' H ' HG23 ' A' ' 596' ' ' THR . 23.6 tp -56.1 -49.93 72.46 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 120.914 0.388 . . . . 0.0 110.495 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -64.0 -48.99 74.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.293 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 15.6 p -64.83 -40.12 94.67 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.552 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -60.38 -49.36 77.88 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.24 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.444 HD13 HD13 ' A' ' 653' ' ' LEU . 89.2 mt -65.56 -38.44 89.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.737 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.444 HG11 ' CD ' ' A' ' 633' ' ' LYS . 37.9 t -63.87 -45.02 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.351 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -64.79 -39.72 94.06 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -57.56 -41.54 81.22 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.574 175.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.63 -49.89 74.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.859 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 89.5 t -58.87 -47.48 89.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.107 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -60.19 -39.43 86.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.19 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.74 -38.94 73.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.13 0.491 . . . . 0.0 110.416 175.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.426 HD11 HD11 ' B' ' 845' ' ' LEU . 33.7 mt -77.0 -31.58 18.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.558 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -155.71 97.57 2.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -175.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -81.06 -33.5 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.43 2.087 . . . . 0.0 113.726 -171.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 19.7 p -75.79 111.56 15.29 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.903 -0.135 . . . . 0.0 111.285 -176.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 4.2 Cg_exo -79.54 88.15 1.47 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.992 2.462 . . . . 0.0 112.129 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.428 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 30.1 t70 -82.35 123.42 79.1 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.754 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.88 -27.41 78.47 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.082 2.521 . . . . 0.0 113.467 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.69 -52.22 6.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.614 0.245 . . . . 0.0 110.406 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . 0.428 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.45 -29.16 63.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.593 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.596 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -61.72 -31.98 72.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.348 0.594 . . . . 0.0 110.267 177.684 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -99.03 16.39 22.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.694 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -100.58 136.61 40.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.033 0.444 . . . . 0.0 110.566 -176.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -56.05 -38.07 70.11 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.503 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -61.92 -40.73 96.49 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.736 0.303 . . . . 0.0 110.341 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.596 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 42.7 ttm -63.95 -38.81 92.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.167 175.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -63.45 -38.77 92.42 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.574 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -40.49 88.57 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.999 0.428 . . . . 0.0 110.141 176.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -39.73 84.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.714 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 625' ' ' MET . 77.6 t -64.55 -42.14 94.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.156 0.503 . . . . 0.0 109.889 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.43 88.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.185 175.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.81 -38.93 87.08 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.334 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.97 98.4 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.733 0.302 . . . . 0.0 110.546 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.444 ' CD ' HG11 ' A' ' 604' ' ' VAL . 0.0 OUTLIER -64.21 -38.94 92.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.886 0.374 . . . . 0.0 110.83 174.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -56.81 -45.51 82.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.152 175.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.63 ' O ' ' HG2' ' A' ' 639' ' ' MET . 7.0 t -54.95 -46.61 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.893 172.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -55.73 -43.18 76.32 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.893 0.377 . . . . 0.0 110.604 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.27 -44.72 96.57 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.793 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.54 -42.15 95.91 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.631 -0.335 . . . . 0.0 111.787 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.63 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.9 mmt -62.95 -37.9 88.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.181 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.406 ' HA ' ' HB3' ' A' ' 643' ' ' ALA . 14.8 t80 -49.77 -37.29 29.23 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -169.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.0 -51.3 59.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.146 0.885 . . . . 0.0 110.754 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 644' ' ' ASN . 8.3 t -66.01 -39.87 90.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.579 177.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 645' ' ' SER . . . -57.58 20.17 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' A' ' 642' ' ' SER . 0.2 OUTLIER -75.6 26.65 0.11 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 118.294 0.497 . . . . 0.0 110.605 -177.234 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . 0.455 ' H ' ' C ' ' A' ' 643' ' ' ALA . 68.6 m -161.09 143.67 12.51 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.358 0.663 . . . . 0.0 109.553 178.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -55.82 -50.8 69.54 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -173.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.0 -43.93 97.8 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 111.03 -176.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -56.01 -49.26 74.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.56 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -58.53 -49.15 78.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.559 -175.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.93 -40.68 91.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 110.415 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -67.06 -41.45 86.41 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.288 -173.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.643 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 63.4 mt -57.08 -52.28 65.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.425 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.444 HD13 HD13 ' A' ' 603' ' ' LEU . 6.6 mt -65.8 -49.72 67.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.504 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.26 95.24 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -57.63 -46.67 83.84 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.019 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.643 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 43.8 mmtm -64.29 -39.88 94.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.519 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 653' ' ' LEU . 72.8 mt -58.91 -45.62 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.748 0.308 . . . . 0.0 110.705 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -64.86 -39.47 93.6 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 3.9 tppp? -58.19 -48.82 79.14 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.647 175.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.44 HD13 ' CD1' ' B' ' 845' ' ' LEU . 88.6 mt -63.47 -41.97 94.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.864 -176.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -65.05 -39.48 93.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.255 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -65.38 -40.61 93.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.48 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 6.4 mm-40 -57.26 -48.61 78.43 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.234 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.435 HD21 ' SD ' ' B' ' 850' ' ' MET . 82.3 mt -60.24 -49.38 77.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.431 -177.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -65.9 -43.38 88.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 0.0 110.804 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.753 -177.304 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.44 ' CD1' HD13 ' A' ' 660' ' ' ILE . 2.0 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.818 0.342 . . . . 0.0 111.856 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 845' ' ' LEU . 23.7 Cg_exo -63.89 162.39 29.05 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 123.091 2.527 . . . . 0.0 112.427 177.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 24.3 m -55.02 -49.21 72.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.89 -44.14 86.52 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -172.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 23.9 mm -65.16 -41.76 92.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.388 0.613 . . . . 0.0 110.013 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.492 ' HA ' ' HE2' ' B' ' 850' ' ' MET . 2.6 mmt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.112 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.43 HG13 HD23 ' A' ' 599' ' ' LEU . 97.4 t -138.98 133.83 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.628 HG23 ' H ' ' A' ' 599' ' ' LEU . 5.4 t -87.4 147.61 25.37 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 176.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -60.03 -38.37 82.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.421 0.629 . . . . 0.0 109.946 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -57.43 -39.74 76.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.901 177.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.628 ' H ' HG23 ' A' ' 596' ' ' THR . 17.8 tp -57.85 -50.36 73.56 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.861 0.362 . . . . 0.0 110.837 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.492 ' HD2' ' OE2' ' A' ' 636' ' ' GLU . 48.6 mtm180 -64.19 -48.14 77.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.079 -177.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 15.4 p -64.75 -40.02 94.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.632 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . 0.447 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 16.0 t-80 -57.53 -48.75 78.44 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.536 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 653' ' ' LEU . 30.7 mt -63.79 -37.63 88.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.189 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 608' ' ' VAL . 39.3 t -58.5 -47.67 87.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.519 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -64.95 -38.51 91.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.925 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 602' ' ' HIS . 28.0 mtpp -59.69 -40.49 88.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.983 0.42 . . . . 0.0 110.449 176.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 9.8 tt -63.54 -46.49 85.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.813 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.452 HG13 HD11 ' A' ' 628' ' ' LEU . 95.4 t -56.51 -43.76 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.972 172.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.23 -39.01 81.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.664 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.75 -39.76 92.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 28.2 mt -78.63 -33.44 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.541 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -147.14 88.95 5.69 Favored Pre-proline 0 N--CA 1.451 -0.422 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -173.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -74.59 -35.05 3.85 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 121.855 1.703 . . . . 0.0 112.939 -173.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 25.5 p -64.68 112.71 8.53 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.32 73.08 6.19 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.102 2.535 . . . . 0.0 111.591 177.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.436 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 26.8 t70 -90.13 126.48 56.89 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -57.74 -34.02 97.61 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.021 2.48 . . . . 0.0 113.251 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.49 -45.63 25.0 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.075 -0.391 . . . . 0.0 110.357 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . 0.436 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.05 -33.01 66.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.336 176.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.455 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -61.17 -33.85 74.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.148 0.499 . . . . 0.0 110.798 177.227 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -103.38 18.12 22.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.795 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . 0.631 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 15.0 t0 -99.55 134.42 42.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.052 -175.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -54.91 -37.51 66.46 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.86 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.631 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 11.1 ttp180 -53.6 -49.19 68.32 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.087 0.242 . . . . 0.0 111.035 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.623 ' O ' HG23 ' A' ' 629' ' ' VAL . 50.3 ttm -64.95 -40.61 95.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.65 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.43 -39.17 93.32 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.598 0.237 . . . . 0.0 110.825 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.07 -47.13 87.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.747 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.2 pp -68.14 -37.75 81.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.382 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 625' ' ' MET . 97.8 t -64.54 -39.54 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 121.181 0.515 . . . . 0.0 110.079 177.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -55.88 -38.16 69.8 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.625 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -64.89 -37.35 87.33 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.501 ' O ' ' HB ' ' A' ' 635' ' ' VAL . . . -61.9 -39.79 93.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.943 0.402 . . . . 0.0 110.169 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -39.99 94.71 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.892 174.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 634' ' ' LYS . 13.2 tmtt? -57.69 -40.84 80.37 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.658 ' O ' ' HG2' ' A' ' 639' ' ' MET . 23.5 t -54.96 -50.46 62.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.619 175.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.492 ' OE2' ' HD2' ' A' ' 600' ' ' ARG . 10.8 tp10 -59.03 -48.57 81.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.726 0.298 . . . . 0.0 110.94 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.4 -45.38 96.3 Favored Glycine 0 C--N 1.328 0.12 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.355 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.22 -49.42 72.02 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 122.556 0.343 . . . . 0.0 111.485 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.658 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.8 mmt -59.38 -37.27 77.54 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.985 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.481 ' HA ' ' HB3' ' A' ' 643' ' ' ALA . 19.7 t80 -48.39 -36.26 14.31 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -170.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.81 -51.09 64.03 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 119.668 -0.813 . . . . 0.0 110.671 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . 0.465 ' C ' ' H ' ' A' ' 644' ' ' ASN . 21.9 t -67.31 -40.17 85.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.126 176.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 640' ' ' TYR . . . -56.62 20.48 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.465 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.1 t-20 -69.68 -0.97 7.77 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 118.097 0.408 . . . . 0.0 110.495 -177.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 44.5 p -135.81 147.75 48.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.638 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -55.4 -50.04 70.78 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.49 -43.36 99.01 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.016 -176.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 6.7 tp10 -58.69 -48.09 82.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.19 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -55.61 -49.2 73.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.913 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -66.82 -40.47 88.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.144 0.497 . . . . 0.0 110.865 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -43.9 86.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.708 -173.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.514 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 93.4 mt -58.86 -49.33 78.15 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.027 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 603' ' ' LEU . 15.5 mt -64.7 -47.8 77.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.548 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.03 -49.09 74.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.693 0.283 . . . . 0.0 111.637 -176.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -60.94 -46.28 91.33 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.352 0.596 . . . . 0.0 110.031 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.62 ' HG3' HD11 ' B' ' 845' ' ' LEU . 0.1 OUTLIER -64.66 -44.78 89.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.937 -172.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.28 -41.19 91.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.772 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.49 -38.07 88.67 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.25 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -57.43 -46.39 83.61 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.88 0.371 . . . . 0.0 110.828 177.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.796 HG13 HD13 ' B' ' 845' ' ' LEU . 0.8 OUTLIER -61.11 -37.91 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.91 177.315 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -64.62 -38.59 91.52 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -39.41 93.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.132 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -59.96 -40.81 90.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.85 174.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 63.1 mt -57.4 -43.18 83.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.954 0.407 . . . . 0.0 109.981 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -61.5 -48.5 80.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.482 176.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.795 -174.734 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.796 HD13 HG13 ' A' ' 660' ' ' ILE . 3.7 mp . . . . . 0 C--O 1.233 0.211 0 CA-C-O 119.868 -0.11 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -30.9 117.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 124.971 3.781 . . . . 0.0 114.511 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.9 m -55.42 -39.61 70.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.315 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -56.06 -44.56 79.0 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.365 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 26.9 mm -64.28 -42.13 94.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.039 0.447 . . . . 0.0 110.115 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.496 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.47 0.549 0 CA-C-O 120.973 0.416 . . . . 0.0 111.923 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.537 HG13 HD23 ' A' ' 599' ' ' LEU . 9.4 t -134.27 131.08 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 168.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.586 HG23 ' H ' ' A' ' 599' ' ' LEU . 5.4 t -88.72 154.83 19.98 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.234 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -64.26 -39.97 95.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.968 0.413 . . . . 0.0 109.943 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -55.89 -40.68 73.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.884 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.586 ' H ' HG23 ' A' ' 596' ' ' THR . 16.6 tp -56.28 -48.1 77.29 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.243 0.544 . . . . 0.0 110.273 177.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -64.41 -49.75 70.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.666 -174.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 8.8 p -66.08 -39.38 89.99 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.04 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -59.05 -45.92 89.55 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.034 0.445 . . . . 0.0 110.092 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.481 HD13 ' CD1' ' A' ' 653' ' ' LEU . 67.7 mt -63.85 -37.99 89.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.668 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.85 -42.2 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.889 0.376 . . . . 0.0 110.518 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -63.79 -38.91 92.86 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.17 -41.02 91.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.77 0.319 . . . . 0.0 110.851 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.54 -43.78 92.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.211 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.522 HG13 HD11 ' A' ' 628' ' ' LEU . 91.4 t -61.65 -43.98 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.102 0.477 . . . . 0.0 110.601 175.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.64 -38.63 85.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.897 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.8 83.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.654 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 23.2 mt -77.25 -31.54 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.684 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -150.28 99.81 3.21 Favored Pre-proline 0 C--N 1.326 -0.437 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.31 -174.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -79.6 -34.97 0.88 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.005 1.804 . . . . 0.0 113.294 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 7.5 p -81.11 112.0 28.97 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 5.6 Cg_exo -82.55 77.1 3.84 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.118 2.545 . . . . 0.0 111.787 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.45 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 30.1 t70 -74.15 126.53 89.08 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.838 177.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.88 -27.38 72.13 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.15 2.567 . . . . 0.0 113.7 -175.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -86.64 -50.07 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -56.9 -27.75 61.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.403 175.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.414 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -62.6 -30.36 71.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.753 178.543 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -101.97 16.28 26.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.705 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -99.73 136.84 39.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.26 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.81 -36.93 65.48 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.965 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -53.89 -46.97 71.53 Favored 'General case' 0 C--O 1.233 0.185 0 O-C-N 123.07 0.232 . . . . 0.0 110.969 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.574 ' O ' HG23 ' A' ' 629' ' ' VAL . 51.0 ttm -65.1 -40.46 94.59 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.644 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.39 -38.93 91.48 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.749 0.309 . . . . 0.0 110.704 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.49 -44.68 95.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 177.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.0 OUTLIER -67.33 -37.74 83.8 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 178.411 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 625' ' ' MET . 80.9 t -63.04 -40.08 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.961 0.41 . . . . 0.0 110.069 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.471 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -55.92 -39.34 71.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.083 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . 0.45 ' HE2' HD23 ' B' ' 845' ' ' LEU . 27.4 t80 -63.52 -36.93 85.39 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.383 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.89 -40.62 85.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.803 0.335 . . . . 0.0 110.321 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -40.37 94.96 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.892 175.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 75.3 mmtt -59.05 -41.61 88.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.258 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.68 ' O ' ' HG2' ' A' ' 639' ' ' MET . 11.5 t -54.78 -50.15 63.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.731 172.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -56.08 -44.15 78.68 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.54 -48.7 74.59 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.609 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.45 -46.74 84.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.76 0.28 . . . . 0.0 111.529 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.68 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.9 mmt -64.05 -37.72 88.47 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.002 -177.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -48.88 -38.05 21.45 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.122 0.889 . . . . 0.0 113.099 -167.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.33 -51.42 57.49 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.685 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . 0.464 ' C ' ' H ' ' A' ' 644' ' ' ASN . 23.3 t -66.49 -38.86 88.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.299 177.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.29 20.51 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.464 ' H ' ' C ' ' A' ' 642' ' ' SER . 1.9 t30 -87.89 23.13 2.12 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 49.3 m -150.82 133.16 15.48 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.071 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -55.33 -51.63 66.13 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -170.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.37 -40.53 97.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.999 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.2 tp10 -59.13 -49.36 78.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.148 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -55.86 -48.67 75.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.158 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -63.61 -41.72 98.28 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 120.752 0.31 . . . . 0.0 111.567 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -66.2 -45.07 82.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.449 -172.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.663 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 80.7 mt -57.24 -50.01 74.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.044 -177.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.481 ' CD1' HD13 ' A' ' 603' ' ' LEU . 7.2 mt -64.94 -48.25 74.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.749 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.96 -45.22 78.93 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 123.107 0.254 . . . . 0.0 111.468 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -57.12 -45.7 83.23 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.703 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 46.6 mmtm -66.12 -41.59 90.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.549 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.13 -49.97 82.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 0.0 110.649 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -64.91 -37.78 88.77 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 0.7 OUTLIER -57.67 -49.3 76.95 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.816 0.341 . . . . 0.0 110.817 179.173 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.709 HG13 HD13 ' B' ' 845' ' ' LEU . 1.0 OUTLIER -62.44 -38.93 82.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 177.689 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -64.23 -38.09 89.81 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.183 0.516 . . . . 0.0 109.721 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -63.99 -40.62 96.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.026 177.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 25.1 mm-40 -63.91 -44.32 93.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.832 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 71.9 mt -55.62 -48.53 74.77 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.0 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.94 -40.39 96.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.714 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.189 -176.526 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.709 HD13 HG13 ' A' ' 660' ' ' ILE . 2.8 mp . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -46.37 126.02 9.65 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 124.105 3.204 . . . . 0.0 114.175 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 9.4 p -54.75 -35.98 64.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.412 -1.267 . . . . 0.0 111.11 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -52.92 -45.45 67.6 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.527 -175.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 37.3 mm -65.49 -39.72 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.509 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.208 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 . . . . . 0 N--CA 1.472 0.651 0 CA-C-O 121.396 0.617 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.41 HG13 HD23 ' A' ' 599' ' ' LEU . 55.3 t -136.98 134.1 47.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.394 172.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.561 HG23 ' H ' ' A' ' 599' ' ' LEU . 4.2 t -94.55 151.57 19.23 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.218 -177.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.415 ' OE1' ' HA ' ' A' ' 597' ' ' GLN . 7.0 tp60 -56.39 -40.46 74.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.28 0.562 . . . . 0.0 110.3 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.56 -39.0 79.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.628 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.601 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 17.8 tp -55.27 -51.77 65.58 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-O 120.613 0.244 . . . . 0.0 111.239 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 604' ' ' VAL . 78.9 mtm180 -58.86 -50.68 73.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.983 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 6.1 p -64.25 -38.59 91.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.846 0.355 . . . . 0.0 110.939 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -57.7 -49.25 77.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.171 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 33.4 mt -64.06 -40.11 95.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.506 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 600' ' ' ARG . 71.6 t -57.9 -49.31 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.565 0.221 . . . . 0.0 110.643 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -60.83 -39.6 89.64 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.961 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.11 -40.95 97.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.976 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.91 -45.26 86.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.539 HG13 HD11 ' A' ' 628' ' ' LEU . 54.4 t -55.88 -44.28 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.468 173.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.23 -39.83 80.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.34 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.461 ' HB1' HG21 ' A' ' 660' ' ' ILE . . . -62.61 -43.64 98.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.841 0.353 . . . . 0.0 110.811 178.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 43.8 mt -70.98 -33.15 50.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.953 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -156.73 91.99 2.47 Favored Pre-proline 0 CA--C 1.534 0.333 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -172.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -80.04 -9.2 14.23 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.676 2.251 . . . . 0.0 113.949 -171.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 28.5 p -99.38 109.73 55.86 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.032 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -75.44 55.32 4.14 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 123.131 2.554 . . . . 0.0 112.223 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.64 123.29 84.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.894 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -57.97 -40.05 81.05 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.25 2.633 . . . . 0.0 113.675 -173.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -68.4 -41.46 80.42 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.22 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.77 87.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.471 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.541 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -48.39 -32.64 7.89 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.59 170.469 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -97.93 16.73 20.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.668 0.27 . . . . 0.0 111.545 -177.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -94.69 137.3 33.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.014 0.435 . . . . 0.0 110.579 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -60.96 -35.89 77.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.154 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -61.47 -38.86 88.78 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.207 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.541 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 45.4 ttm -58.9 -37.87 77.6 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.926 175.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.51 -40.23 82.28 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -63.25 -43.52 97.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.891 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.539 HD11 HG13 ' A' ' 608' ' ' VAL . 0.6 OUTLIER -67.48 -39.72 85.26 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.614 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 625' ' ' MET . 92.1 t -59.65 -42.72 89.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.321 176.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.85 90.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.934 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -64.47 -41.24 96.61 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.604 0.24 . . . . 0.0 110.547 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.77 96.58 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.658 0.266 . . . . 0.0 110.584 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -60.96 -40.27 92.71 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.242 175.33 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -59.36 -41.48 89.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.109 0.48 . . . . 0.0 110.111 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.569 ' O ' ' HG2' ' A' ' 639' ' ' MET . 38.8 t -60.89 -49.98 82.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.323 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.586 ' O ' ' HB2' ' A' ' 640' ' ' TYR . 2.8 pt-20 -54.74 -38.67 67.44 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.04 -50.76 56.07 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.092 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.5 -46.29 83.61 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.989 0.423 . . . . 0.0 111.054 -177.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.571 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 17.3 mmt -62.56 -35.78 80.56 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.928 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.586 ' HB2' ' O ' ' A' ' 636' ' ' GLU . 6.2 t80 -47.89 -38.19 15.83 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.505 1.128 . . . . 0.0 112.437 -173.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -66.44 -50.32 63.77 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.638 0.654 . . . . 0.0 111.083 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . 0.474 ' C ' ' H ' ' A' ' 644' ' ' ASN . 16.1 m -65.88 -38.62 89.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.569 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -48.1 20.62 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.474 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.8 t-20 -69.56 -5.09 22.07 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.635 -0.666 . . . . 0.0 110.181 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 18.6 m -139.16 141.98 38.0 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -49.15 73.55 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.061 0.226 . . . . 0.0 111.332 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -60.73 -42.3 97.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.971 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -60.33 -48.24 82.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.612 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.06 -48.74 77.82 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.534 -176.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -65.6 -37.23 86.04 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.584 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -63.78 -49.12 74.19 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.956 0.408 . . . . 0.0 110.191 -175.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.571 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 76.7 mt -58.07 -49.77 75.77 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.427 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' ' 657' ' ' ILE . 8.3 mt -65.73 -48.21 72.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.727 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.18 85.09 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -57.13 -47.91 79.97 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.413 177.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.401 ' HE3' ' CG2' ' A' ' 635' ' ' VAL . 23.1 ttmm -59.25 -40.65 86.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.798 178.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 653' ' ' LEU . 63.3 mt -65.82 -43.25 93.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.763 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -65.31 -38.58 90.63 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.036 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 663' ' ' GLU . 73.6 mmtt -57.37 -40.32 77.9 Favored 'General case' 0 CA--C 1.524 -0.043 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.78 175.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.699 HG13 HD13 ' B' ' 845' ' ' LEU . 0.1 OUTLIER -56.22 -38.58 55.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.378 173.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -67.31 -39.67 85.94 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.482 0.658 . . . . 0.0 109.315 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' A' ' 666' ' ' GLU . 28.8 tptp -65.36 -43.68 90.04 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.74 178.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 659' ' ' LYS . 31.1 mt-10 -64.69 -45.61 85.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.387 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 96.1 mt -55.51 -40.18 71.43 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.084 0.469 . . . . 0.0 109.805 176.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.56 -49.49 76.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.852 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 662' ' ' LYS . 62.9 mm-40 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.014 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.699 HD13 HG13 ' A' ' 660' ' ' ILE . 5.8 mp . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.512 0.196 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.89 127.7 17.45 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.082 1.855 . . . . 0.0 111.424 172.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 50.7 m -54.76 -37.93 66.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.635 -176.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -56.77 -39.72 74.56 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.488 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.79 -40.3 88.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.435 0.636 . . . . 0.0 109.438 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 32.3 mmt . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.661 176.719 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 . . . . . 0 N--CA 1.472 0.661 0 N-CA-C 111.552 0.205 . . . . 0.0 111.552 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 38.9 t -143.53 135.21 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 122.255 0.222 . . . . 0.0 110.541 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.548 HG23 ' H ' ' A' ' 599' ' ' LEU . 8.0 t -94.08 165.24 12.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.649 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -64.16 -44.64 91.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.929 0.395 . . . . 0.0 110.456 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.36 -40.13 77.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.365 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.548 ' H ' HG23 ' A' ' 596' ' ' THR . 18.6 tp -55.63 -49.95 71.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.975 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.504 ' O ' HG23 ' A' ' 604' ' ' VAL . 36.6 mtm180 -62.01 -49.52 75.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.237 -176.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . 0.433 ' O ' ' HD2' ' A' ' 605' ' ' HIS . 9.8 p -65.3 -39.84 93.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.986 -177.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -60.54 -45.88 92.25 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.527 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 56.2 mt -61.42 -37.54 83.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.233 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 600' ' ' ARG . 76.7 t -59.26 -41.34 83.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.433 ' HD2' ' O ' ' A' ' 601' ' ' SER . 17.3 m-70 -64.29 -38.69 91.94 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -58.12 -42.08 85.0 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.689 176.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 8.8 tt -65.55 -50.04 66.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.29 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.402 HG13 HD11 ' A' ' 628' ' ' LEU . 99.5 t -56.12 -41.59 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.041 175.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -55.91 -40.01 72.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.744 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.74 93.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.62 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.4 mt -82.63 -30.66 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.641 0.258 . . . . 0.0 110.596 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -155.09 91.22 2.92 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.33 . . . . 0.0 110.362 -174.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -80.67 -35.21 0.58 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.153 1.902 . . . . 0.0 112.602 -176.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 22.9 p -62.27 114.13 10.82 Favored Pre-proline 0 C--N 1.33 -0.269 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.9 Cg_exo -79.52 75.14 5.21 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.072 2.515 . . . . 0.0 111.465 176.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.456 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 16.9 t70 -82.18 121.82 79.01 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.609 176.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.6 -25.77 79.96 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.144 2.562 . . . . 0.0 113.159 -175.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.19 -48.06 10.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.751 0.31 . . . . 0.0 110.18 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -58.71 -30.47 67.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.384 175.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -32.46 71.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.19 0.519 . . . . 0.0 110.024 177.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -100.15 16.85 22.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.18 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . 0.4 ' OD2' ' HB2' ' A' ' 624' ' ' ARG . 29.8 t70 -95.02 127.55 41.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.06 0.457 . . . . 0.0 110.497 -177.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -55.8 -37.31 68.46 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.911 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.4 ' HB2' ' OD2' ' A' ' 622' ' ' ASP . 2.1 mmp_? -64.13 -37.71 88.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.128 -0.229 . . . . 0.0 111.258 -177.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.4 ' O ' HG23 ' A' ' 629' ' ' VAL . 39.3 ttm -55.19 -38.02 67.82 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.642 176.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -56.36 -38.45 71.43 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.972 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -60.41 -44.21 95.94 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.989 0.423 . . . . 0.0 110.357 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.408 ' HG ' ' N ' ' A' ' 629' ' ' VAL . 0.1 OUTLIER -66.78 -40.76 88.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.621 -178.172 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.408 ' N ' ' HG ' ' A' ' 628' ' ' LEU . 52.1 t -65.77 -42.13 91.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 121.319 0.58 . . . . 0.0 110.075 178.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.25 92.75 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.836 177.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . 0.401 ' O ' ' HB2' ' A' ' 634' ' ' LYS . 51.5 t80 -63.97 -38.14 90.0 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 176.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.64 77.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.274 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -39.93 92.54 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.106 174.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 631' ' ' TYR . 14.0 mptt -57.03 -46.85 82.07 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.737 0.303 . . . . 0.0 110.455 176.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.716 ' O ' ' HG2' ' A' ' 639' ' ' MET . 9.8 t -54.94 -50.34 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.779 175.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -57.02 -41.51 78.68 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.786 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.82 -47.77 79.41 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.727 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.46 -44.0 96.32 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.902 0.382 . . . . 0.0 111.301 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.716 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.6 mmt -57.61 -35.89 71.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.665 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -50.82 -35.41 32.13 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.293 -0.867 . . . . 0.0 113.205 -171.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.6 -50.85 69.65 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.953 0.797 . . . . 0.0 109.927 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 644' ' ' ASN . 14.9 m -65.15 -37.57 87.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.578 177.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -54.6 20.52 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.496 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.8 t-20 -68.31 -1.87 7.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.01 0.433 . . . . 0.0 110.092 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 55.6 p -142.0 145.2 34.17 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.986 175.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -55.46 -49.77 71.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.765 0.316 . . . . 0.0 111.652 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.66 -41.18 97.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.623 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.613 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 6.4 tp10 -59.96 -45.17 93.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.852 0.358 . . . . 0.0 110.266 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.64 -49.61 72.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.247 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -65.34 -38.77 91.13 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 122.517 0.327 . . . . 0.0 111.839 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -65.65 -42.85 90.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.858 0.361 . . . . 0.0 110.774 -176.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 63.6 mt -60.97 -50.48 73.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.95 -177.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.483 ' O ' HG13 ' A' ' 657' ' ' ILE . 9.1 mt -62.3 -45.58 92.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.912 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.86 -47.76 79.65 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.827 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -59.69 -46.99 87.39 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 29.8 mmtp -64.76 -38.67 91.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.077 -176.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 653' ' ' LEU . 83.4 mt -60.18 -43.2 92.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 176.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -64.44 -38.03 89.61 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -57.54 -47.39 82.14 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.943 0.401 . . . . 0.0 110.114 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.429 HG13 HD13 ' B' ' 845' ' ' LEU . 0.5 OUTLIER -63.83 -39.17 84.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.383 178.425 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -65.57 -40.09 92.39 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.215 0.531 . . . . 0.0 109.655 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -65.63 -39.64 91.69 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.043 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -56.62 -49.31 75.35 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.038 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.77 -42.41 97.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.328 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.3 -50.26 68.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.765 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.872 -176.319 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.429 HD13 HG13 ' A' ' 660' ' ' ILE . 5.5 mp . . . . . 0 C--O 1.234 0.265 0 CA-C-O 120.558 0.218 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . 0.413 ' O ' ' HG2' ' B' ' 850' ' ' MET . 68.2 Cg_exo -42.61 130.27 5.23 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 124.562 3.508 . . . . 0.0 114.493 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 34.2 m -60.92 -39.43 89.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.583 -1.19 . . . . 0.0 111.502 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -62.76 -40.27 96.74 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.446 -174.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 33.3 mm -63.47 -43.46 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' B' ' 846' ' ' PRO . 26.1 mmm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.992 175.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.3 p80 . . . . . 0 N--CA 1.467 0.408 0 CA-C-O 121.196 0.522 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.617 HG13 HD23 ' A' ' 599' ' ' LEU . 12.7 t -134.72 131.91 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 168.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.634 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.7 t -88.37 154.13 20.63 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.322 177.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -63.01 -38.97 93.34 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -57.71 -39.94 78.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.895 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.634 ' H ' HG23 ' A' ' 596' ' ' THR . 16.9 tp -56.38 -47.47 78.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.262 0.553 . . . . 0.0 110.003 177.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.4 ' O ' HG23 ' A' ' 604' ' ' VAL . 78.8 mtt180 -64.92 -48.01 75.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.75 -177.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.9 p -64.33 -38.64 91.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.503 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -55.64 -45.59 77.6 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.668 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 653' ' ' LEU . 26.4 mt -64.6 -38.47 91.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.108 178.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 600' ' ' ARG . 55.4 t -64.13 -42.7 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.322 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -61.62 -40.31 94.4 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.321 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -64.16 -39.12 93.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.65 -43.54 93.3 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.633 HG13 HD11 ' A' ' 628' ' ' LEU . 73.4 t -59.08 -46.23 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.495 0.664 . . . . 0.0 109.943 174.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.45 -38.07 76.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.972 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.19 88.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.005 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 29.2 mt -78.44 -34.96 18.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -156.98 102.52 1.93 Allowed Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -175.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -77.47 -33.42 2.44 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.018 1.812 . . . . 0.0 113.14 -171.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 23.4 p -77.37 112.41 23.53 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.584 0.23 . . . . 0.0 111.579 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.9 Cg_exo -77.61 74.94 4.95 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.976 2.451 . . . . 0.0 111.194 176.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.512 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 18.1 t70 -70.62 124.56 91.12 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.023 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.414 ' O ' ' HE2' ' A' ' 621' ' ' LYS . 13.0 Cg_endo -57.46 -30.96 90.0 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.261 2.64 . . . . 0.0 113.237 -175.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.4 -48.04 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . 0.512 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.44 -28.61 63.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.238 175.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.505 HD22 ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -61.07 -31.07 70.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.303 0.573 . . . . 0.0 109.636 178.318 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . 0.414 ' HE2' ' O ' ' A' ' 617' ' ' PRO . 46.9 mtmt -104.16 14.84 29.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.076 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -100.33 141.26 33.43 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . 0.542 ' HD3' ' OE2' ' A' ' 626' ' ' GLU . 27.6 mmt180 -55.53 -36.44 66.75 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.968 177.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -53.97 -49.98 67.54 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.466 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.533 ' O ' HG23 ' A' ' 629' ' ' VAL . 52.4 ttm -66.11 -39.05 89.63 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.001 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . 0.542 ' OE2' ' HD3' ' A' ' 623' ' ' ARG . 40.3 mt-10 -60.74 -40.55 92.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.585 0.231 . . . . 0.0 111.129 -175.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -42.78 99.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.21 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.633 HD11 HG13 ' A' ' 608' ' ' VAL . 1.1 pp -67.61 -38.03 83.38 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 625' ' ' MET . 74.5 t -64.77 -41.52 92.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 121.304 0.574 . . . . 0.0 109.989 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -61.84 -38.38 87.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.842 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -63.23 -38.18 90.17 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.4 96.77 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.447 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -39.46 94.26 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.761 0.315 . . . . 0.0 110.905 174.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -56.49 -46.86 80.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.755 176.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.582 ' O ' ' HG2' ' A' ' 639' ' ' MET . 4.6 t -54.93 -47.11 76.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.23 173.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -56.03 -40.73 73.89 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.87 -50.01 66.93 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.98 -44.78 91.68 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.787 0.327 . . . . 0.0 111.336 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.6 mmt -64.65 -38.48 91.15 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.525 -178.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -52.97 -39.98 63.38 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.439 0.462 . . . . 0.0 111.352 -175.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -67.22 -46.81 72.69 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.387 0.613 . . . . 0.0 110.416 176.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 644' ' ' ASN . 9.3 m -64.11 -36.33 83.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.134 -0.939 . . . . 0.0 112.023 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.35 22.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.5 t-20 -70.13 -2.25 12.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.074 0.464 . . . . 0.0 110.177 -176.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 38.2 p -145.95 140.6 27.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.922 174.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -54.81 -50.35 68.77 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -175.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.72 -40.42 87.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.226 -176.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -64.17 -46.62 83.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.783 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -55.38 -49.26 72.79 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.766 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -65.59 -40.07 92.29 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -66.98 -41.08 87.39 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.819 -174.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.537 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 80.8 mt -60.67 -49.83 75.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.048 -178.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 603' ' ' LEU . 11.5 mt -64.67 -44.04 91.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.153 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.13 -43.87 78.64 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -61.3 -40.81 95.53 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.339 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 0.2 OUTLIER -63.32 -45.49 91.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.043 -179.172 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.459 ' O ' ' HG3' ' A' ' 661' ' ' GLN . 65.5 mt -64.69 -43.57 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.778 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -64.53 -38.32 90.61 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.494 ' O ' ' HG3' ' A' ' 662' ' ' LYS . 1.7 tppp? -58.58 -44.95 89.94 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.014 0.435 . . . . 0.0 110.073 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.558 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 0.2 OUTLIER -65.21 -38.6 83.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.485 176.026 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 27.7 mt-30 -65.31 -41.58 93.91 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.667 -174.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 659' ' ' LYS . 0.0 OUTLIER -65.71 -36.66 84.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.332 176.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.93 -46.79 87.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.043 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 88.7 mt -55.47 -48.76 74.02 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 123.123 0.264 . . . . 0.0 111.302 -175.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -65.62 -38.16 88.63 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.639 0.257 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.527 178.7 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.465 HD22 ' CD1' ' A' ' 660' ' ' ILE . 5.4 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . 0.44 ' HG2' HG12 ' B' ' 849' ' ' ILE . 30.3 Cg_endo -62.71 154.66 64.14 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 123.877 3.052 . . . . 0.0 114.951 -167.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' B' ' 850' ' ' MET . 19.8 m -55.07 -37.02 66.22 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 113.587 -1.642 . . . . 0.0 111.537 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -54.69 -48.98 71.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.45 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . 0.44 HG12 ' HG2' ' B' ' 846' ' ' PRO . 33.2 mm -65.66 -38.31 82.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.28 177.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.425 ' HB2' ' O ' ' B' ' 847' ' ' SER . 3.8 mmt . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.335 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 29.4 p80 . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 120.97 0.414 . . . . 0.0 111.495 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.463 HG13 HD23 ' A' ' 599' ' ' LEU . 53.7 t -133.97 132.85 56.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 170.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.509 HG23 ' H ' ' A' ' 599' ' ' LEU . 1.8 t -94.39 163.85 13.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.565 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -63.65 -40.26 96.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.388 0.613 . . . . 0.0 109.643 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.65 -38.39 78.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.098 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.529 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 18.8 tp -54.38 -49.66 69.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.083 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.537 ' HD3' ' CD1' ' A' ' 640' ' ' TYR . 38.9 mtm180 -65.41 -43.86 89.25 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 52.7 p -64.57 -39.27 93.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.258 0.551 . . . . 0.0 110.092 -178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -56.02 -49.1 74.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.238 176.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 76.2 mt -62.87 -38.58 91.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.04 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.3 -40.76 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.979 0.419 . . . . 0.0 110.634 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -62.42 -37.72 86.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.285 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -55.81 -44.67 78.06 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.98 -43.64 91.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.23 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.544 HG13 HD11 ' A' ' 628' ' ' LEU . 90.0 t -64.02 -43.35 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 177.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . 0.514 ' OE1' ' HA ' ' A' ' 613' ' ' PRO . 5.9 tp-100 -60.93 -40.48 93.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.271 -179.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.74 83.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.15 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 33.5 mt -76.24 -34.6 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.976 -174.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -156.69 95.34 2.24 Favored Pre-proline 0 C--N 1.33 -0.263 0 O-C-N 122.101 -0.374 . . . . 0.0 110.048 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . 0.514 ' HA ' ' OE1' ' A' ' 609' ' ' GLN . 55.3 Cg_endo -78.26 -30.03 3.64 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.157 1.905 . . . . 0.0 113.262 -173.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 25.6 p -75.23 111.75 15.27 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.0 Cg_exo -79.31 73.61 5.94 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.078 2.519 . . . . 0.0 111.503 177.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.442 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 18.2 t70 -70.09 127.86 92.01 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.837 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -56.09 -26.39 59.52 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.222 2.614 . . . . 0.0 113.366 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -86.32 -46.81 9.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.814 0.34 . . . . 0.0 110.163 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -59.42 -31.48 69.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.679 176.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -27.73 67.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.285 0.564 . . . . 0.0 110.239 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -99.75 16.1 24.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.343 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . 0.624 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 17.9 t70 -99.92 134.17 43.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.326 -175.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -63.3 -38.67 92.07 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.278 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.624 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 35.7 ttm180 -57.86 -39.96 79.02 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.865 -0.152 . . . . 0.0 111.054 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.52 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 41.5 ttm -58.49 -39.0 78.8 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.124 176.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.46 -38.11 79.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.624 0.249 . . . . 0.0 110.948 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.48 -41.8 90.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.443 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.544 HD11 HG13 ' A' ' 608' ' ' VAL . 0.9 OUTLIER -66.73 -38.93 87.65 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.557 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.56 -43.07 96.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.34 0.59 . . . . 0.0 109.974 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 634' ' ' LYS . . . -59.37 -39.4 83.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.332 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -61.15 -38.77 87.62 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.32 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.28 86.75 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.725 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.669 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -63.96 -40.34 96.2 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.748 0.308 . . . . 0.0 111.387 175.826 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 630' ' ' ALA . 64.5 mttm -59.13 -45.9 89.74 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.547 ' O ' ' HG2' ' A' ' 639' ' ' MET . 11.1 t -57.68 -51.59 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.689 174.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.669 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.2 OUTLIER -56.48 -39.53 73.37 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 121.215 -0.194 . . . . 0.0 110.994 -178.572 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.31 -49.24 62.32 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.52 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.67 -40.88 97.93 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 24.0 mmt -61.63 -38.08 86.34 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.273 177.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.537 ' CD1' ' HD3' ' A' ' 600' ' ' ARG . 6.5 t80 -50.93 -37.44 44.23 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.593 0.558 . . . . 0.0 111.751 -173.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -50.28 63.25 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.646 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . 0.528 ' C ' ' H ' ' A' ' 644' ' ' ASN . 23.2 t -65.06 -36.95 85.97 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.808 178.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.64 22.49 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.993 1.717 . . . . 0.0 114.725 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.528 ' H ' ' C ' ' A' ' 642' ' ' SER . 1.5 t-20 -70.25 1.1 5.2 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.087 0.47 . . . . 0.0 109.951 -177.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 19.7 m -140.01 138.53 35.53 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.545 173.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.43 ' O ' ' HD1' ' A' ' 650' ' ' TYR . 11.7 mmm180 -55.16 -51.16 67.38 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -174.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -59.99 -40.64 89.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 6.7 tp10 -56.52 -48.4 77.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.104 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.99 -49.46 76.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.462 -175.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.43 ' HD1' ' O ' ' A' ' 646' ' ' ARG . 68.4 m-85 -66.53 -40.19 88.99 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.175 0.512 . . . . 0.0 110.749 -176.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -40.85 86.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.257 -175.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.689 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 96.9 mt -61.08 -50.89 71.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 3.2 mt -61.31 -45.05 96.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.929 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.62 -42.18 82.81 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.604 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.58 -46.06 90.08 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.674 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.689 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 59.0 mmtt -64.98 -40.3 94.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 -175.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.449 ' O ' ' HG3' ' A' ' 661' ' ' GLN . 80.7 mt -61.66 -40.87 88.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.275 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -64.06 -37.21 86.62 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 74.2 mmtt -57.11 -47.96 79.79 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.759 0.314 . . . . 0.0 110.291 177.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.539 ' CD1' HD22 ' B' ' 845' ' ' LEU . 0.3 OUTLIER -63.08 -38.04 81.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.985 177.156 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 94.8 mt-30 -65.55 -39.72 92.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.199 0.523 . . . . 0.0 109.631 -178.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -64.82 -41.13 96.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.186 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 65.7 mm-40 -57.64 -46.62 83.94 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.663 178.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 92.2 mt -58.28 -42.49 86.69 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.583 0.552 . . . . 0.0 111.117 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.41 -45.45 90.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.124 0.487 . . . . 0.0 109.872 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.601 -179.754 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.539 HD22 ' CD1' ' A' ' 660' ' ' ILE . 5.9 mp . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.698 0.285 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -43.92 137.36 6.88 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 124.471 3.447 . . . . 0.0 114.877 -174.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 6.2 p -55.44 -37.56 67.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.172 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -54.52 -47.8 72.7 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.743 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 38.9 mm -65.15 -39.85 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.998 0.428 . . . . 0.0 110.32 178.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.462 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 3.0 mmt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.996 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.319 0 CA-C-O 121.032 0.444 . . . . 0.0 111.477 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.541 HG13 HD23 ' A' ' 599' ' ' LEU . 86.9 t -137.68 133.69 45.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.622 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.7 t -91.19 164.15 14.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.873 0.368 . . . . 0.0 111.258 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -64.57 -42.11 95.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.393 0.616 . . . . 0.0 109.795 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -59.27 -39.54 83.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.306 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.622 ' H ' HG23 ' A' ' 596' ' ' THR . 20.6 tp -54.3 -47.73 72.1 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.059 -177.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.51 ' HD3' ' CE1' ' A' ' 640' ' ' TYR . 30.5 mtm105 -57.43 -50.7 72.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.544 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 22.0 p -64.14 -40.18 95.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.859 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -58.99 -48.97 79.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.153 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.506 HD13 ' CD1' ' A' ' 653' ' ' LEU . 47.6 mt -63.73 -38.28 90.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.186 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 600' ' ' ARG . 55.3 t -57.78 -40.61 76.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.555 0.217 . . . . 0.0 110.966 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -62.79 -38.22 89.8 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 121.183 -0.207 . . . . 0.0 110.766 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -58.54 -39.53 80.46 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.179 0.514 . . . . 0.0 110.483 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.13 -48.92 74.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.591 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.429 HG13 HD11 ' A' ' 628' ' ' LEU . 92.3 t -56.37 -42.91 75.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.03 173.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -55.97 -41.58 74.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.744 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.432 ' HB1' HG21 ' A' ' 660' ' ' ILE . . . -61.7 -40.28 94.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.673 178.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 36.2 mt -80.52 -33.95 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.617 0.246 . . . . 0.0 110.732 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -154.88 90.17 3.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 -171.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -78.38 -32.77 2.14 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.024 1.816 . . . . 0.0 112.534 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 25.2 p -64.2 119.48 56.23 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -77.13 91.46 1.17 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.078 2.519 . . . . 0.0 110.992 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 14.7 t70 -102.98 124.65 37.81 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.294 -177.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.61 -32.38 96.57 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.191 2.594 . . . . 0.0 113.693 -175.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -89.43 -47.04 8.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.551 0.215 . . . . 0.0 110.743 -176.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . 0.615 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -56.7 -28.79 61.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.502 176.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -30.1 71.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.245 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -102.79 16.67 25.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.006 0.431 . . . . 0.0 110.789 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -99.58 133.53 43.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.489 -175.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -60.74 -38.71 86.09 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.576 -176.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -39.54 75.39 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 122.318 0.247 . . . . 0.0 110.902 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.55 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 46.1 ttm -62.02 -39.02 90.87 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.602 175.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.12 -38.62 87.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.885 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . 0.418 HD22 ' N ' ' A' ' 627' ' ' ASN . 0.9 OUTLIER -57.48 -46.89 83.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.746 179.469 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.1 pp -66.75 -38.85 87.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.875 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 625' ' ' MET . 99.4 t -65.26 -40.75 89.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.283 0.563 . . . . 0.0 110.144 178.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.2 87.26 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.73 176.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -64.42 -36.92 85.74 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 629' ' ' VAL . . . -55.37 -39.95 70.72 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.084 0.468 . . . . 0.0 110.096 178.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -39.89 95.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.528 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -56.1 -47.11 78.68 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.724 0.297 . . . . 0.0 110.555 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.556 ' O ' ' HG2' ' A' ' 639' ' ' MET . 12.4 t -55.95 -44.47 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.995 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.487 ' OE2' ' HB3' ' A' ' 600' ' ' ARG . 6.3 tt0 -54.88 -45.83 74.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.38 178.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.44 -48.82 74.96 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.694 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.08 -41.5 97.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.797 0.299 . . . . 0.0 111.186 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.556 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 21.7 mmt -64.58 -36.97 85.94 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.229 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.51 ' CE1' ' HD3' ' A' ' 600' ' ' ARG . 4.3 t80 -49.75 -37.05 27.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.199 -0.91 . . . . 0.0 113.058 -170.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.21 -50.5 65.63 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.52 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . 0.519 ' C ' ' H ' ' A' ' 644' ' ' ASN . 19.5 m -64.35 -37.53 87.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.848 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.44 19.15 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.519 ' H ' ' C ' ' A' ' 642' ' ' SER . 0.1 OUTLIER -83.24 19.31 1.51 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.498 0.666 . . . . 0.0 109.231 -179.673 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 35.3 m -151.08 134.63 16.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -55.24 -51.02 67.96 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -170.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.17 -40.87 97.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.743 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 19.4 tt0 -61.44 -43.37 98.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.935 -177.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.77 -50.34 73.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.757 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -66.17 -39.42 89.74 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -65.16 -42.36 93.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.75 0.31 . . . . 0.0 110.438 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.51 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 93.3 mt -64.07 -48.34 76.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.0 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.514 ' O ' HG13 ' A' ' 657' ' ' ILE . 13.7 mt -64.29 -45.53 87.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.253 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.13 91.27 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.124 0.265 . . . . 0.0 111.439 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -57.39 -43.87 84.0 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.464 0.65 . . . . 0.0 109.483 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.414 ' HZ2' HG11 ' A' ' 635' ' ' VAL . 1.3 tmmm? -58.93 -41.27 86.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.826 178.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 653' ' ' LEU . 64.4 mt -64.33 -44.01 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.867 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -63.41 -38.86 92.76 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 36.9 mmtm -57.29 -45.08 84.45 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.725 177.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.498 HD11 HD22 ' B' ' 845' ' ' LEU . 0.1 OUTLIER -62.93 -37.18 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.301 177.479 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . 0.492 ' O ' ' HG3' ' A' ' 665' ' ' GLU . 92.0 mt-30 -65.1 -41.69 94.7 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -175.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 662' ' ' LYS . 70.3 mmtt -66.6 -40.38 88.83 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.114 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 67.9 mm-40 -58.77 -49.2 78.53 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.773 0.32 . . . . 0.0 110.633 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 89.4 mt -59.05 -48.38 81.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 661' ' ' GLN . 52.0 mt-10 -64.8 -42.71 94.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.703 0.287 . . . . 0.0 110.759 -178.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.214 -178.819 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.498 HD22 HD11 ' A' ' 660' ' ' ILE . 5.7 mp . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 120.785 0.326 . . . . 0.0 110.687 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 845' ' ' LEU . 83.4 Cg_exo -46.63 136.73 16.01 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.993 3.129 . . . . 0.0 114.052 -175.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 20.4 m -55.34 -38.0 68.18 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.736 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -55.17 -48.38 73.85 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.864 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 32.3 mm -64.47 -38.91 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 121.122 0.487 . . . . 0.0 109.956 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.45 ' SD ' HG12 ' A' ' 660' ' ' ILE . 31.4 mmt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.34 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 . . . . . 0 N--CA 1.468 0.458 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.553 HG13 HD23 ' A' ' 599' ' ' LEU . 86.6 t -125.67 131.97 71.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 172.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.492 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.0 t -93.71 154.75 17.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.659 0.266 . . . . 0.0 110.702 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -60.7 -38.0 83.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -55.67 -40.04 71.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.473 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.553 HD23 HG13 ' A' ' 595' ' ' VAL . 19.9 tp -55.92 -47.9 76.65 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.737 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 604' ' ' VAL . 69.5 mtp180 -60.97 -49.7 76.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.943 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 19.1 p -62.62 -38.39 90.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.075 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -55.67 -48.37 75.15 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.116 0.484 . . . . 0.0 110.087 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.425 HD13 ' CD1' ' A' ' 653' ' ' LEU . 39.5 mt -65.05 -37.79 88.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.242 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 600' ' ' ARG . 58.6 t -61.33 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.133 0.492 . . . . 0.0 110.243 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -63.35 -37.33 86.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.61 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -61.38 -40.35 94.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.794 0.331 . . . . 0.0 110.486 175.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.3 tt -64.15 -43.05 96.38 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.495 HG13 HD11 ' A' ' 628' ' ' LEU . 78.4 t -58.16 -46.64 88.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.169 0.509 . . . . 0.0 110.206 172.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -38.7 70.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.985 178.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.47 -39.32 79.61 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.066 178.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 27.5 mt -82.18 -35.65 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -157.89 100.88 1.8 Allowed Pre-proline 0 N--CA 1.452 -0.331 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -173.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -74.39 -31.27 7.45 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 121.965 1.777 . . . . 0.0 113.181 -170.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 11.4 p -85.01 123.29 73.79 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 120.693 0.282 . . . . 0.0 111.494 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -75.88 65.91 6.79 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.756 2.304 . . . . 0.0 110.964 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.451 ' O ' ' HB2' ' A' ' 620' ' ' LEU . 32.0 t70 -61.24 125.18 83.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.88 -178.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.09 -28.89 87.97 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.964 2.442 . . . . 0.0 113.548 -175.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -79.56 -53.36 6.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.015 0.436 . . . . 0.0 110.082 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -58.26 -27.45 64.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.979 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.528 HD22 ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -63.04 -30.93 71.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.933 -179.209 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . 0.413 ' HE2' ' HA ' ' A' ' 621' ' ' LYS . 11.5 mmpt? -95.54 -3.19 47.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.278 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -89.84 136.74 32.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.803 0.335 . . . . 0.0 110.42 -174.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . 0.582 ' NH2' ' HG3' ' A' ' 626' ' ' GLU . 3.6 mmp_? -53.48 -37.83 63.07 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.198 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 624' ' ' ARG . 15.9 ttm180 -60.06 -40.19 88.59 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 111.388 0.144 . . . . 0.0 111.388 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.541 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 42.3 ttm -64.55 -39.6 94.05 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.429 177.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . 0.582 ' HG3' ' NH2' ' A' ' 623' ' ' ARG . 45.4 mm-40 -61.2 -39.29 89.66 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.773 0.32 . . . . 0.0 110.27 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -61.83 -44.55 96.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.817 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 625' ' ' MET . 0.8 OUTLIER -66.1 -38.28 87.83 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.068 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 625' ' ' MET . 96.7 t -65.05 -41.34 91.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.137 0.494 . . . . 0.0 110.234 177.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 634' ' ' LYS . . . -62.95 -39.73 95.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.491 175.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -59.86 -40.47 88.73 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 176.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.52 -49.52 77.09 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.392 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.607 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -57.28 -39.17 75.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.829 174.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 630' ' ' ALA . 9.1 mtpm? -56.88 -49.53 75.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.779 0.323 . . . . 0.0 110.298 176.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.638 ' O ' ' HG2' ' A' ' 639' ' ' MET . 11.6 t -57.01 -51.88 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.625 174.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.1 OUTLIER -58.16 -39.31 78.5 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 121.239 -0.184 . . . . 0.0 111.074 -178.75 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.38 -47.29 88.84 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.09 -40.61 96.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.025 0.441 . . . . 0.0 110.63 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.638 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 25.0 mmt -61.51 -36.26 80.04 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.554 176.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -51.39 -38.21 52.23 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.537 0.523 . . . . 0.0 111.992 -173.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -49.55 65.42 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.406 0.622 . . . . 0.0 110.432 176.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . 0.525 ' C ' ' H ' ' A' ' 644' ' ' ASN . 7.6 t -62.64 -34.32 76.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.155 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.97 23.18 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.522 1.529 . . . . 0.0 114.663 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.525 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.3 t-20 -74.97 -2.69 28.29 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 13.5 m -138.44 131.66 30.12 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -56.29 -47.79 77.94 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.86 0.362 . . . . 0.0 111.398 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.04 -40.63 96.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.915 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.521 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.3 tp10 -63.89 -48.4 76.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.687 -178.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -54.71 -50.0 69.35 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.333 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -65.57 -39.13 91.3 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -66.34 -40.98 90.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.001 0.429 . . . . 0.0 110.677 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 65.6 mt -62.51 -49.82 73.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.167 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.518 ' O ' HG13 ' A' ' 657' ' ' ILE . 10.3 mt -61.05 -42.45 98.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.825 177.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.63 -44.1 76.78 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.301 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -58.01 -46.29 85.49 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.608 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -64.59 -40.05 94.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.09 -176.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 653' ' ' LEU . 55.0 mt -64.11 -40.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . 0.456 ' HA ' HE21 ' A' ' 661' ' ' GLN . 7.4 t80 -63.07 -38.31 90.66 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 13.6 tppt? -57.93 -48.0 81.2 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 177.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.564 HG13 HD13 ' B' ' 845' ' ' LEU . 0.5 OUTLIER -59.55 -38.96 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.076 175.121 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 48.0 mt-30 -65.5 -39.71 92.18 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -64.99 -47.9 75.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.655 176.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 18.7 mm-40 -61.19 -49.34 77.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.142 -174.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 80.2 mt -59.43 -45.29 91.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.0 0.428 . . . . 0.0 110.686 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -66.01 -49.73 66.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.951 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.725 -175.454 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.564 HD13 HG13 ' A' ' 660' ' ' ILE . 4.3 mp . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.807 0.337 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . 0.417 ' HB2' HG12 ' B' ' 849' ' ' ILE . 93.4 Cg_exo -44.44 128.87 8.44 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 124.645 3.564 . . . . 0.0 114.523 -174.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.0 p -57.87 -39.24 77.31 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.246 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.04 -46.94 78.72 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.697 -177.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . 0.417 HG12 ' HB2' ' B' ' 846' ' ' PRO . 18.8 mm -64.48 -40.0 87.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.526 ' SD ' HG12 ' A' ' 660' ' ' ILE . 30.9 mmt . . . . . 0 N--CA 1.464 0.263 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.759 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 121.462 0.649 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.474 HG13 HD23 ' A' ' 599' ' ' LEU . 27.7 t -138.26 132.18 41.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.888 171.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.557 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.3 t -90.14 157.81 17.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.748 0.309 . . . . 0.0 111.127 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.35 -38.45 89.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.816 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -57.65 -40.42 79.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.841 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.557 ' H ' HG23 ' A' ' 596' ' ' THR . 18.2 tp -57.6 -44.68 85.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.174 0.511 . . . . 0.0 110.377 176.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.552 ' HD2' ' OH ' ' A' ' 649' ' ' TYR . 20.3 mmm180 -64.01 -50.52 68.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.129 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 11.1 p -66.1 -39.53 90.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.644 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . 0.454 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 20.6 t60 -55.67 -49.56 72.61 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.135 0.493 . . . . 0.0 110.481 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' A' ' 653' ' ' LEU . 66.8 mt -64.48 -36.43 84.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.582 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 608' ' ' VAL . 53.3 t -61.81 -41.83 92.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.955 0.407 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -63.64 -39.45 94.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.282 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 602' ' ' HIS . 45.1 mtpt -61.9 -40.14 94.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.994 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.35 -42.29 93.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.037 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.512 HG13 HD11 ' A' ' 628' ' ' LEU . 93.0 t -61.03 -46.36 96.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.21 0.528 . . . . 0.0 110.016 175.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -55.6 -39.36 70.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.826 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.498 ' HB1' HG21 ' A' ' 660' ' ' ILE . . . -60.09 -40.26 88.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.516 177.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.435 HG12 HD11 ' A' ' 660' ' ' ILE . 32.9 mt -75.99 -33.97 26.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.632 0.253 . . . . 0.0 110.334 -178.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -156.47 101.03 2.04 Favored Pre-proline 0 N--CA 1.45 -0.474 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 -171.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -77.09 -34.73 2.06 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.903 1.736 . . . . 0.0 113.317 -173.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 40.0 p -77.87 111.07 15.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 6.3 Cg_exo -82.1 69.42 7.52 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.934 2.423 . . . . 0.0 111.54 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 22.3 t70 -64.49 128.79 93.76 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.24 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -57.33 -28.14 78.64 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.196 2.597 . . . . 0.0 113.774 -176.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.43 -49.93 8.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.328 . . . . 0.0 110.12 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.08 -28.1 62.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.513 176.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.445 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -64.42 -30.26 71.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.063 -179.421 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -106.32 16.59 24.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.761 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . 0.634 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 16.8 t0 -93.58 129.47 39.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.916 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -55.62 -36.65 67.21 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.874 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.634 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 17.7 ttp180 -54.04 -40.94 67.54 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 122.195 0.198 . . . . 0.0 111.52 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.513 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 47.9 ttm -63.63 -38.41 91.02 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.409 178.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -56.4 -38.81 72.03 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.637 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . 0.452 HD22 ' N ' ' A' ' 627' ' ' ASN . 0.9 OUTLIER -63.18 -46.09 88.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.168 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.4 pp -65.81 -38.26 88.49 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.233 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 625' ' ' MET . 67.9 t -64.12 -40.28 88.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.147 0.499 . . . . 0.0 110.002 177.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -59.13 -39.03 81.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.358 178.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -58.36 -40.22 81.67 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 121.188 -0.205 . . . . 0.0 110.629 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.96 -44.43 96.77 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.935 0.397 . . . . 0.0 110.264 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.651 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 31.7 mmtp -53.89 -50.59 66.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.875 173.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.525 ' HE2' ' N ' ' A' ' 634' ' ' LYS . 1.2 mpmm? -55.58 -47.3 76.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.564 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.459 ' O ' ' HG2' ' A' ' 639' ' ' MET . 21.7 t -55.53 -49.65 72.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.663 175.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 3.4 pt-20 -56.32 -40.52 74.51 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.607 0.241 . . . . 0.0 110.375 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.84 -50.51 47.05 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.125 -0.559 . . . . 0.0 113.036 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.25 -47.85 82.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 111.074 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.604 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 20.6 mmt -58.95 -36.83 75.47 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.697 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 643' ' ' ALA . 3.8 t80 -50.56 -35.44 29.79 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.866 0.729 . . . . 0.0 112.613 -170.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.56 -50.5 67.01 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.508 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . 0.484 ' C ' ' H ' ' A' ' 644' ' ' ASN . 16.5 m -65.26 -38.35 90.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.163 0.506 . . . . 0.0 111.192 175.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . 0.509 ' HB3' ' HA ' ' A' ' 640' ' ' TYR . . . -59.21 20.76 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.136 1.374 . . . . 0.0 114.492 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.484 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.1 t-20 -75.34 2.84 10.25 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.421 0.629 . . . . 0.0 109.852 -175.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 40.1 m -140.94 139.6 34.32 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.175 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -54.87 -50.6 68.28 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -168.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.2 -42.09 98.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.398 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 9.6 tp10 -62.83 -41.93 99.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.638 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . 0.552 ' OH ' ' HD2' ' A' ' 600' ' ' ARG . 1.9 t80 -55.5 -49.58 72.18 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.636 -176.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -64.29 -37.47 87.6 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 120.799 0.333 . . . . 0.0 111.289 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -65.18 -44.99 86.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.036 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.604 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 61.7 mt -60.04 -50.82 72.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.209 -176.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.516 ' O ' HG13 ' A' ' 657' ' ' ILE . 6.5 mt -64.24 -44.86 90.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.33 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.19 -42.34 81.04 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.854 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 25.1 tt0 -60.12 -41.92 93.66 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.136 179.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -64.0 -40.84 97.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.446 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 653' ' ' LEU . 54.4 mt -64.93 -40.3 88.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.432 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -64.62 -37.75 88.65 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 75.5 mmtt -56.87 -46.13 82.02 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.662 HG13 HD13 ' B' ' 845' ' ' LEU . 0.2 OUTLIER -60.36 -38.89 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.915 176.448 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -65.77 -40.58 92.15 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.114 0.483 . . . . 0.0 109.733 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -65.35 -45.26 84.89 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.668 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 659' ' ' LYS . 24.7 mt-10 -63.04 -39.15 93.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.381 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 82.2 mt -59.2 -39.79 83.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.979 0.419 . . . . 0.0 110.116 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -65.61 -45.37 83.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.523 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.187 -177.573 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.662 HD13 HG13 ' A' ' 660' ' ' ILE . 5.5 mp . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.968 0.413 . . . . 0.0 111.334 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -57.58 144.76 91.7 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 123.333 2.689 . . . . 0.0 112.579 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.3 t -55.55 -37.83 68.5 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.601 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -53.3 -47.67 69.03 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.393 0.433 . . . . 0.0 111.696 -175.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 33.8 mm -66.36 -44.47 90.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.783 0.325 . . . . 0.0 111.143 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 33.2 mmt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.23 0.538 . . . . 0.0 110.459 178.11 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.8 p80 . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 43.0 t -137.67 132.68 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.584 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.3 t -90.98 150.77 21.33 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.203 177.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.628 ' HA ' HE21 ' A' ' 597' ' ' GLN . 0.1 OUTLIER -59.02 -38.12 78.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.129 0.49 . . . . 0.0 109.726 179.386 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -57.74 -40.05 78.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.946 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.584 ' H ' HG23 ' A' ' 596' ' ' THR . 21.0 tp -57.74 -52.16 66.58 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.762 0.315 . . . . 0.0 111.007 177.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.406 ' O ' HG23 ' A' ' 604' ' ' VAL . 24.0 mtp180 -64.78 -46.8 80.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.67 -177.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 32.6 p -64.22 -40.31 95.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.909 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -57.49 -43.54 84.21 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.161 0.505 . . . . 0.0 110.272 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 35.1 mt -64.14 -38.24 90.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.874 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 600' ' ' ARG . 74.5 t -64.42 -45.16 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -178.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -63.19 -39.04 93.49 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.87 -40.25 94.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.455 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.84 -43.87 91.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.834 176.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.523 HG13 HD11 ' A' ' 628' ' ' LEU . 66.7 t -55.28 -45.2 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.152 0.501 . . . . 0.0 110.412 172.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . 0.413 ' HG2' ' HA ' ' A' ' 613' ' ' PRO . 1.0 OUTLIER -58.19 -38.72 77.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.539 178.301 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.2 -40.91 91.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.364 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.8 mt -80.5 -32.45 13.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -156.43 93.06 2.47 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -174.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . 0.413 ' HA ' ' HG2' ' A' ' 609' ' ' GLN . 41.5 Cg_endo -74.72 -32.85 5.48 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.078 1.852 . . . . 0.0 113.171 -170.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 13.8 p -73.93 108.49 5.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.317 -177.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 5.6 Cg_exo -80.41 75.58 4.97 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.888 2.392 . . . . 0.0 111.754 -178.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.452 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 15.5 t70 -73.06 124.87 91.15 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.83 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.78 -26.33 65.73 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.316 2.677 . . . . 0.0 113.742 -174.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -88.1 -49.04 7.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 0.0 110.35 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 622' ' ' ASP . . . -57.35 -27.96 62.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.324 175.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.552 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -61.4 -33.26 73.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.411 178.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -96.15 15.37 21.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.145 -177.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . 0.552 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 0.6 OUTLIER -97.29 141.12 30.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.234 0.54 . . . . 0.0 111.115 -173.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -64.08 -38.43 91.05 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.233 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.552 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 56.0 ttp180 -57.28 -43.94 83.59 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.738 0.304 . . . . 0.0 110.678 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.552 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 40.0 ttm -62.64 -38.38 90.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.769 175.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -56.35 -39.26 72.58 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.838 0.352 . . . . 0.0 110.158 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -43.06 99.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.507 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.523 HD11 HG13 ' A' ' 608' ' ' VAL . 0.6 OUTLIER -66.99 -38.82 86.71 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.795 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 625' ' ' MET . 62.5 t -64.68 -40.22 88.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-O 121.148 0.499 . . . . 0.0 110.125 178.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.52 83.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.663 177.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -64.59 -38.61 91.6 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 175.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.89 94.43 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.071 0.462 . . . . 0.0 110.028 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.584 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 25.8 mmtp -59.86 -46.92 87.78 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.579 0.704 . . . . 0.0 111.266 173.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -54.1 -43.74 70.65 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.226 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.514 ' O ' ' HG2' ' A' ' 639' ' ' MET . 20.7 t -60.2 -49.96 82.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.724 176.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 3.9 pt-20 -56.3 -40.02 73.66 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.872 0.367 . . . . 0.0 110.436 -178.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.47 -48.26 70.29 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.744 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.36 -43.26 95.08 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.562 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 25.5 mmt -56.36 -36.67 69.07 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.713 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.497 ' HA ' ' HB3' ' A' ' 643' ' ' ALA . 17.2 t80 -49.23 -35.09 16.5 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.938 0.774 . . . . 0.0 112.919 -173.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.75 -52.24 61.32 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 119.66 -0.816 . . . . 0.0 110.61 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . 0.439 ' C ' ' H ' ' A' ' 644' ' ' ASN . 23.4 t -67.75 -39.66 84.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.094 176.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' ' 640' ' ' TYR . . . -57.73 20.38 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.439 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.3 t-20 -71.04 -1.92 13.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.222 0.534 . . . . 0.0 109.612 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 43.5 m -128.64 138.1 52.0 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.442 174.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -55.88 -49.96 71.95 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.637 0.256 . . . . 0.0 111.628 -176.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.92 -40.17 83.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.938 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 7.7 tp10 -62.09 -46.07 90.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.377 -178.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -55.59 -46.24 77.32 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.242 -175.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -62.7 -38.02 88.77 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 122.649 0.38 . . . . 0.0 111.25 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -66.3 -42.34 88.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.654 -174.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.562 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 46.7 mt -62.62 -50.38 71.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.361 -175.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.485 ' CD1' HD13 ' A' ' 603' ' ' LEU . 10.8 mt -62.34 -42.86 99.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.399 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.81 -44.93 78.32 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.57 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.12 -49.61 76.37 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.812 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -64.98 -41.64 95.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.272 -174.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.09 -40.61 89.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.818 0.342 . . . . 0.0 110.266 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -64.52 -37.39 87.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.319 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.484 ' O ' ' HB3' ' A' ' 662' ' ' LYS . 71.1 mmtt -57.7 -43.59 85.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.103 0.478 . . . . 0.0 110.472 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.539 HG13 HD13 ' B' ' 845' ' ' LEU . 1.0 OUTLIER -64.13 -37.83 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.767 175.694 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -64.12 -38.51 91.33 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 659' ' ' LYS . 21.4 tttm -56.39 -47.11 79.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.132 173.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -61.34 -40.1 93.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.328 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 92.1 mt -64.38 -39.03 93.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.089 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.08 -45.71 84.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.136 0.494 . . . . 0.0 110.353 172.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.558 -176.141 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.539 HD13 HG13 ' A' ' 660' ' ' ILE . 5.8 mp . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -35.36 129.48 0.28 Allowed 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 125.239 3.959 . . . . 0.0 114.926 -174.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.8 m -55.05 -38.59 68.19 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.855 176.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.45 -46.89 85.66 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.696 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 40.9 mm -65.66 -40.19 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 120.968 0.413 . . . . 0.0 110.388 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.432 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 2.5 mmt . . . . . 0 N--CA 1.463 0.208 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.953 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.6 p80 . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 86.4 t -134.89 132.31 53.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 118.371 0.532 . . . . 0.0 110.372 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.569 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.0 t -91.39 152.23 20.5 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 175.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -60.35 -38.69 84.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.347 0.594 . . . . 0.0 109.586 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -56.22 -40.92 74.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.665 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.569 ' H ' HG23 ' A' ' 596' ' ' THR . 17.9 tp -60.3 -48.35 82.1 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.651 177.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -59.01 -50.35 74.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.098 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 44.0 p -65.23 -40.56 94.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.91 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -56.66 -50.57 71.69 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.384 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 653' ' ' LEU . 42.0 mt -66.01 -38.98 89.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.225 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 608' ' ' VAL . 19.8 t -64.59 -45.41 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.856 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -63.99 -39.17 93.51 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.33 -40.08 95.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.286 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.9 tt -61.94 -44.03 97.61 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 604' ' ' VAL . 97.2 t -60.65 -45.05 98.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.459 174.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -58.26 -38.18 76.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.772 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.03 93.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.725 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.498 HG12 HD13 ' A' ' 660' ' ' ILE . 23.0 mt -78.56 -30.41 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.113 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -155.92 101.17 2.14 Favored Pre-proline 0 CA--C 1.531 0.245 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -79.13 -34.02 1.27 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.144 1.896 . . . . 0.0 113.46 -172.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.465 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 23.4 p -69.38 110.56 6.51 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.2 Cg_exo -83.92 72.84 5.15 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.213 2.609 . . . . 0.0 111.518 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.606 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 21.2 t70 -77.93 129.1 77.11 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.012 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -55.85 -28.97 70.37 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.514 2.809 . . . . 0.0 113.649 -174.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -92.75 -48.28 6.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.614 0.245 . . . . 0.0 110.557 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . 0.606 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.58 -28.46 63.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.664 178.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.471 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -62.16 -31.84 72.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.196 0.522 . . . . 0.0 110.324 178.095 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -97.64 18.0 16.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.541 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . 0.586 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 5.2 t70 -93.62 129.72 39.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.157 -175.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -58.08 -39.5 78.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.439 -177.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.586 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 28.4 ttp180 -57.7 -46.8 83.88 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.623 177.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.557 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 41.9 ttm -64.44 -39.84 94.59 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.772 175.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 622' ' ' ASP . 39.6 mt-10 -58.08 -38.59 76.66 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-O 120.729 0.3 . . . . 0.0 110.763 -178.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.61 -40.72 97.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.203 178.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 625' ' ' MET . 0.7 OUTLIER -68.42 -38.16 80.96 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.017 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 625' ' ' MET . 84.5 t -64.15 -40.29 88.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-O 121.131 0.491 . . . . 0.0 110.217 178.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.478 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -58.58 -37.79 76.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.506 177.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -59.31 -37.5 77.91 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.296 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.51 94.9 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.206 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.531 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -65.02 -40.84 95.46 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 120.941 0.401 . . . . 0.0 110.509 175.424 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 31.3 mmmt -56.02 -42.88 77.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.966 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 639' ' ' MET . 19.6 t -55.61 -49.79 71.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.678 176.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 3.2 pt-20 -56.87 -39.98 75.33 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.255 -178.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.77 -48.52 71.33 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.775 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -63.71 -43.8 95.5 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.912 0.386 . . . . 0.0 110.963 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.5 mmt -64.26 -36.17 83.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.631 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.407 ' HA ' ' HB3' ' A' ' 643' ' ' ALA . 16.1 t80 -48.17 -36.64 13.98 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.803 0.689 . . . . 0.0 112.595 -173.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -65.5 -49.99 66.95 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.165 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . 0.452 ' C ' ' H ' ' A' ' 644' ' ' ASN . 15.4 m -66.56 -39.34 88.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.449 176.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 640' ' ' TYR . . . -57.44 19.7 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.452 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.1 t-20 -70.81 -5.99 34.46 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 16.5 m -130.77 141.61 50.37 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.66 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -57.13 -50.03 74.07 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.602 0.239 . . . . 0.0 111.544 -177.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.53 -42.28 91.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.549 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.7 tp10 -62.18 -46.14 90.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.621 -177.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -55.88 -49.42 73.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.82 -175.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -66.33 -38.76 88.43 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.283 0.563 . . . . 0.0 110.967 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -43.57 89.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.005 -173.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 70.1 mt -63.18 -50.13 71.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.078 -177.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 603' ' ' LEU . 13.7 mt -62.45 -40.96 98.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.628 -178.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.89 78.79 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.727 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -55.94 -47.12 78.13 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.01 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -63.8 -40.16 95.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.553 -171.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 75.5 mt -60.88 -49.42 84.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.596 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -66.21 -38.69 88.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.038 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 659' ' ' LYS . 71.4 mmtt -60.45 -47.57 85.52 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.171 -178.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.542 HG13 HD13 ' B' ' 845' ' ' LEU . 1.3 mt -63.64 -39.18 84.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.915 177.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -64.58 -38.96 92.82 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.182 0.515 . . . . 0.0 109.961 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -64.32 -43.0 96.03 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.222 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.6 -42.53 95.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.512 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 86.3 mt -58.2 -45.29 87.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.865 0.364 . . . . 0.0 110.087 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.77 -42.7 94.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.757 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.049 179.062 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.542 HD13 HG13 ' A' ' 660' ' ' ILE . 1.7 mt . . . . . 0 CA--C 1.53 0.208 0 CA-C-O 120.427 0.156 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' B' ' 845' ' ' LEU . 11.1 Cg_endo -53.98 123.02 12.45 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.402 2.735 . . . . 0.0 113.832 -176.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 11.3 p -55.99 -36.51 67.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.355 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -52.77 -49.04 66.34 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.098 -175.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 32.3 mm -64.6 -38.36 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.663 0.268 . . . . 0.0 110.508 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.457 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 7.6 mmt . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.946 0.403 . . . . 0.0 110.786 177.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 . . . . . 0 N--CA 1.466 0.342 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.468 HG13 HD23 ' A' ' 599' ' ' LEU . 82.0 t -129.14 132.83 66.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 171.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.525 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.7 t -93.49 157.85 16.0 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 121.001 -0.279 . . . . 0.0 111.124 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -61.55 -39.65 91.86 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.53 -39.99 74.3 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.922 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.525 ' H ' HG23 ' A' ' 596' ' ' THR . 18.9 tp -57.68 -51.03 71.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.866 178.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -66.01 -45.38 81.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.604 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . 0.453 ' O ' ' HD2' ' A' ' 605' ' ' HIS . 35.2 p -64.04 -39.86 95.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.974 -176.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -57.59 -43.71 84.84 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.145 0.498 . . . . 0.0 110.123 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 65.7 mt -63.86 -36.23 83.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.515 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.59 -43.85 95.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.961 0.41 . . . . 0.0 110.257 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.453 ' HD2' ' O ' ' A' ' 601' ' ' SER . 61.7 m-70 -60.0 -37.78 80.68 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.537 177.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 603' ' ' LEU . 31.2 mmmt -55.48 -48.55 74.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.545 177.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.2 tt -65.16 -41.62 94.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.418 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.515 HG13 HD11 ' A' ' 628' ' ' LEU . 96.9 t -60.63 -47.49 92.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.923 0.392 . . . . 0.0 110.385 176.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -58.13 -38.35 76.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.54 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.81 84.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.025 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.4 mt -83.88 -33.67 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -157.13 93.59 2.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -173.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -79.42 -36.84 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 121.884 1.723 . . . . 0.0 112.648 -175.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 20.3 p -67.09 117.25 44.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -176.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 6.1 Cg_exo -81.2 61.72 8.24 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.153 2.568 . . . . 0.0 111.806 177.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.459 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 19.3 t70 -63.91 127.61 91.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.153 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.17 -28.33 83.56 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.266 2.644 . . . . 0.0 113.474 -175.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -87.93 -49.92 6.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.828 0.347 . . . . 0.0 110.654 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . 0.459 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -59.89 -28.23 67.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.593 177.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 616' ' ' ASP . 0.2 OUTLIER -64.81 -32.37 74.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.295 0.569 . . . . 0.0 109.74 179.165 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -93.89 11.64 28.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.906 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -89.83 131.89 35.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.067 0.461 . . . . 0.0 110.252 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -61.21 -37.55 83.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.299 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -64.83 -38.17 90.08 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.488 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 0.0 OUTLIER -55.69 -43.74 76.7 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.046 175.112 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.89 -38.14 78.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.852 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -60.51 -40.72 92.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.033 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.515 HD11 HG13 ' A' ' 608' ' ' VAL . 0.7 OUTLIER -66.63 -38.36 86.78 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.335 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.85 -42.97 96.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 121.218 0.533 . . . . 0.0 109.563 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -60.12 -37.99 81.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.633 175.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -60.91 -40.01 91.5 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.62 98.41 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.865 0.364 . . . . 0.0 110.074 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 630' ' ' ALA . 31.5 mmtp -54.47 -50.12 68.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.883 172.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 630' ' ' ALA . 67.7 mttm -55.78 -44.48 77.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.556 176.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.6 ' O ' ' HG2' ' A' ' 639' ' ' MET . 6.4 t -54.84 -47.09 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.805 172.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 633' ' ' LYS . 7.9 tt0 -55.54 -41.47 73.26 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 122.631 0.372 . . . . 0.0 110.77 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.21 -47.91 80.17 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.587 177.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.74 -42.2 97.91 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.991 0.424 . . . . 0.0 110.938 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.6 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.9 mmt -61.67 -37.4 83.96 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.39 178.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -51.26 -38.97 55.62 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 123.594 0.559 . . . . 0.0 111.574 -174.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.44 -50.28 59.97 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.228 0.537 . . . . 0.0 110.636 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 644' ' ' ASN . 4.5 t -64.68 -35.81 82.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.236 -178.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -56.5 22.2 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.518 1.527 . . . . 0.0 114.527 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.517 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.8 t-20 -73.31 -3.77 29.09 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -177.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 43.2 m -135.11 133.67 39.46 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -55.76 -50.09 71.36 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.29 -40.4 96.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.34 -43.7 98.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.62 -49.14 73.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.067 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -64.35 -38.37 90.79 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 111.755 0.279 . . . . 0.0 111.755 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -65.37 -41.1 94.15 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.971 0.415 . . . . 0.0 110.494 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.463 ' O ' ' HD3' ' A' ' 656' ' ' LYS . 39.7 mt -61.95 -52.32 64.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.031 -178.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.47 ' CD1' HD13 ' A' ' 603' ' ' LEU . 9.2 mt -60.69 -44.64 96.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.187 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.11 -42.05 80.12 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.659 178.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -59.82 -50.03 75.4 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.463 ' HD3' ' O ' ' A' ' 652' ' ' LEU . 2.7 mptp? -64.89 -40.02 94.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.858 -175.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.71 -44.72 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.349 . . . . 0.0 110.389 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . 0.517 ' O ' ' HG3' ' A' ' 662' ' ' LYS . 5.8 t80 -64.5 -38.61 91.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.367 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -56.99 -46.38 82.31 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-O 120.743 0.306 . . . . 0.0 110.645 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.486 HG13 HD13 ' B' ' 845' ' ' LEU . 0.8 OUTLIER -61.54 -38.32 79.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.148 176.822 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.34 -40.35 93.56 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.229 0.538 . . . . 0.0 109.746 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 658' ' ' TYR . 7.0 mtpm? -65.12 -40.45 94.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.525 177.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.56 -48.03 82.84 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 93.9 mt -59.26 -40.6 86.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.047 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -60.55 -50.66 72.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.421 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.585 -178.674 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.486 HD13 HG13 ' A' ' 660' ' ' ILE . 5.8 mp . . . . . 0 CA--C 1.53 0.186 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.22 135.04 52.44 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.574 2.85 . . . . 0.0 114.152 -172.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' B' ' 850' ' ' MET . 19.2 m -59.67 -37.76 79.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.038 177.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.99 -43.42 86.55 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.864 -176.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 19.9 mm -64.42 -39.18 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.444 ' HB2' ' O ' ' B' ' 847' ' ' SER . 32.5 mmt . . . . . 0 N--CA 1.463 0.204 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.751 175.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 8.9 p80 . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.51 HG13 HD23 ' A' ' 599' ' ' LEU . 84.6 t -128.07 129.6 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 170.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.575 HG23 ' H ' ' A' ' 599' ' ' LEU . 4.0 t -90.41 160.38 16.08 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.085 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -64.25 -39.78 94.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.966 0.412 . . . . 0.0 110.057 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -56.62 -40.88 76.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.824 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.575 ' H ' HG23 ' A' ' 596' ' ' THR . 15.1 tp -60.0 -44.47 94.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.228 0.537 . . . . 0.0 110.162 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -64.72 -49.7 69.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.791 -175.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 24.8 p -66.09 -41.65 90.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.651 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -61.36 -43.89 98.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.942 -175.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 92.4 mt -61.3 -37.17 82.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.783 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 73.4 t -58.9 -40.38 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.133 0.492 . . . . 0.0 110.379 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.425 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 12.4 m-70 -62.95 -39.22 93.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.393 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -56.81 -44.45 82.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.52 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.91 -44.53 89.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.244 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.452 HG13 HD11 ' A' ' 628' ' ' LEU . 92.4 t -60.15 -48.17 89.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.063 176.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 15.0 mm100 -58.17 -38.52 76.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.993 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.35 -38.93 72.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.033 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.435 ' CG1' HD11 ' A' ' 660' ' ' ILE . 32.4 mt -78.47 -38.98 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -157.83 100.8 1.81 Allowed Pre-proline 0 CA--C 1.53 0.174 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -171.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -80.43 -31.49 1.59 Allowed 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 122.212 1.941 . . . . 0.0 113.679 -172.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 13.5 p -83.68 111.77 34.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -175.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -81.15 82.56 2.4 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.061 2.507 . . . . 0.0 112.255 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.443 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 25.0 t70 -70.13 128.56 91.45 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.133 177.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.0 -26.5 75.31 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.183 2.589 . . . . 0.0 113.946 -177.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -89.31 -50.94 5.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 0.0 110.458 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -56.04 -26.69 50.12 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.44 176.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -26.92 69.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.05 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -104.51 16.01 26.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.252 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -99.94 135.45 41.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.155 0.502 . . . . 0.0 110.235 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -56.37 -38.36 71.35 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.698 -174.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -59.88 -41.74 92.23 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.8 0.333 . . . . 0.0 110.75 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.554 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 5.3 tpp -62.83 -40.69 98.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.664 175.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.16 -38.94 92.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.921 -178.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.95 -43.14 91.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.044 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.0 OUTLIER -67.81 -38.39 83.22 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.056 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.454 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 94.6 t -64.81 -43.74 96.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.187 0.517 . . . . 0.0 109.848 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.524 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -59.32 -38.6 80.7 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.233 176.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -57.74 -41.07 81.15 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.506 0.193 . . . . 0.0 110.777 177.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.42 -42.96 95.76 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.936 0.398 . . . . 0.0 110.589 177.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.653 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 37.9 mmtm -52.56 -50.99 61.83 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.026 171.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -55.44 -45.23 76.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.901 175.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 639' ' ' MET . 16.3 t -54.05 -49.61 59.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.697 177.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 4.4 pt-20 -56.09 -40.35 73.52 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.572 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.66 -48.2 75.29 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.519 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.62 -45.6 89.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.945 0.403 . . . . 0.0 111.009 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.561 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 19.9 mmt -61.63 -36.24 80.21 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.379 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -49.36 -36.85 22.72 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.809 0.693 . . . . 0.0 112.577 -172.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -66.03 -51.0 62.2 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.39 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 644' ' ' ASN . 15.1 m -64.65 -37.88 89.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.0 178.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -54.88 21.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.485 1.514 . . . . 0.0 114.903 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.502 ' H ' ' C ' ' A' ' 642' ' ' SER . 1.3 t30 -82.74 19.7 1.28 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 70.1 p -155.66 146.76 22.48 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -57.11 -47.8 80.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.799 0.333 . . . . 0.0 111.165 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.51 -46.59 89.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.72 -176.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.2 -45.1 89.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.963 -177.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -49.87 74.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -175.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -64.88 -38.29 90.49 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -64.83 -46.87 80.1 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.881 0.372 . . . . 0.0 110.513 -174.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.561 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 80.7 mt -59.92 -49.26 78.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.546 -177.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.579 ' O ' HG13 ' A' ' 657' ' ' ILE . 5.3 mt -63.68 -44.67 93.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.871 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -58.25 -45.71 87.31 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.627 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 19.1 tt0 -56.35 -44.18 79.83 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.61 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.448 ' HE3' HG22 ' A' ' 635' ' ' VAL . 45.8 mttm -61.01 -40.53 93.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.525 177.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 653' ' ' LEU . 31.2 mt -62.75 -39.87 86.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.946 0.403 . . . . 0.0 109.97 -178.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -64.38 -39.29 93.57 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.274 175.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 74.9 mmtt -59.2 -41.12 87.79 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.161 0.505 . . . . 0.0 110.201 177.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.537 HG12 ' SD ' ' B' ' 850' ' ' MET . 0.2 OUTLIER -56.66 -37.91 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.232 176.35 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 665' ' ' GLU . 75.5 mt-30 -65.15 -41.29 94.89 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -173.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 97.2 mttt -65.54 -45.69 82.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.65 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -57.11 -49.4 76.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 94.7 mt -58.95 -44.1 91.38 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.1 -177.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 661' ' ' GLN . 23.9 mm-40 -64.74 -47.0 79.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.269 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 662' ' ' LYS . 72.7 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.072 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.521 HD13 HG13 ' A' ' 660' ' ' ILE . 5.3 mp . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.26 131.43 43.18 Favored 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 123.034 2.489 . . . . 0.0 112.247 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.7 t -55.31 -38.83 69.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.272 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -55.29 -47.97 74.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.786 -177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 29.8 mm -64.98 -40.45 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.161 0.505 . . . . 0.0 110.463 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.537 ' SD ' HG12 ' A' ' 660' ' ' ILE . 2.6 mmt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.378 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 1.7 p80 . . . . . 0 N--CA 1.466 0.363 0 CA-C-O 120.782 0.325 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.484 HG13 HD23 ' A' ' 599' ' ' LEU . 73.6 t -134.79 133.48 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 168.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.611 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.5 t -90.62 153.83 20.03 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.371 175.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -63.56 -39.01 93.3 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -55.6 -38.23 69.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.685 178.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.611 ' H ' HG23 ' A' ' 596' ' ' THR . 16.8 tp -56.21 -49.41 74.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.328 177.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -64.99 -43.97 90.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.543 -178.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 12.0 p -64.42 -38.92 92.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.881 0.372 . . . . 0.0 110.539 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -61.0 -44.16 97.82 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.21 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 55.8 mt -62.49 -37.15 84.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.305 -178.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.58 -44.61 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.93 0.395 . . . . 0.0 110.241 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -64.74 -40.29 95.07 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.02 -40.31 73.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.386 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.41 -50.09 68.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.042 176.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 92.9 t -56.28 -49.02 78.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.504 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.47 -37.52 78.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.792 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -55.62 -39.41 70.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.731 0.3 . . . . 0.0 110.939 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 28.8 mt -83.2 -32.29 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.536 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -156.19 91.34 2.64 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -172.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . 0.453 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 57.9 Cg_endo -81.43 -25.04 4.03 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.301 2.001 . . . . 0.0 113.108 -174.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 23.2 p -86.59 106.58 10.82 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.648 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 6.2 Cg_exo -81.56 82.64 2.32 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.122 2.548 . . . . 0.0 112.024 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.61 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 26.8 t70 -69.23 130.99 90.67 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.72 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.78 -26.65 48.68 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.27 2.647 . . . . 0.0 113.761 -176.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -93.92 -52.36 4.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.702 0.286 . . . . 0.0 110.902 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . 0.61 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.01 -27.18 61.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.341 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.444 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -60.44 -26.43 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.459 0.647 . . . . 0.0 109.618 178.086 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -101.53 17.83 21.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.897 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -90.66 133.68 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.123 0.487 . . . . 0.0 110.368 -176.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -55.95 -39.41 71.69 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -63.68 -38.95 93.03 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.43 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.444 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 43.1 ttm -57.6 -38.74 75.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.002 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.84 -38.78 83.06 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.079 0.466 . . . . 0.0 110.141 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . 0.436 HD22 ' N ' ' A' ' 627' ' ' ASN . 0.9 OUTLIER -62.01 -39.8 93.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.683 177.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -41.82 86.67 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.437 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 69.1 t -65.81 -41.59 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.353 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -60.79 -39.19 87.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.765 176.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -64.9 -38.22 90.24 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 175.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.63 97.24 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.005 0.431 . . . . 0.0 109.851 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.592 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 29.6 mmtp -57.91 -49.92 75.12 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.578 0.704 . . . . 0.0 111.16 173.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -54.78 -46.24 74.4 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.841 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 639' ' ' MET . 8.0 t -56.71 -50.63 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.488 175.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.592 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.5 OUTLIER -58.69 -38.52 78.44 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.501 -178.479 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -62.95 -46.59 93.25 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.379 178.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -63.89 -43.54 95.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.126 0.488 . . . . 0.0 110.341 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.585 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 20.5 mmt -64.16 -38.0 89.49 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.754 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -51.94 -36.89 50.82 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.623 0.577 . . . . 0.0 111.773 -177.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.24 -49.12 68.3 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.548 176.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 644' ' ' ASN . 18.7 m -64.69 -37.16 86.65 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.987 178.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -51.0 20.8 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 116.423 2.009 . . . . 0.0 116.423 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 642' ' ' SER . 0.2 OUTLIER -77.29 17.26 0.5 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 -177.83 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 68.1 m -155.39 135.3 12.84 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -54.59 -49.93 69.23 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.662 0.268 . . . . 0.0 111.557 -176.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.89 -40.18 96.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -176.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -64.6 -46.33 83.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.907 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.11 -49.37 74.05 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -178.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -64.73 -38.89 92.52 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -65.89 -45.35 82.35 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.772 -174.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.405 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 91.7 mt -60.25 -49.87 75.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.122 -178.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.585 ' O ' HG13 ' A' ' 657' ' ' ILE . 11.0 mt -62.81 -46.86 86.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.056 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.02 74.0 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.84 -40.5 95.52 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.392 0.615 . . . . 0.0 109.92 -178.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.477 ' HG2' HD11 ' B' ' 845' ' ' LEU . 13.0 ttpp -61.08 -43.28 99.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.447 178.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 653' ' ' LEU . 87.1 mt -60.55 -44.99 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.654 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . 0.427 ' CD2' ' HE3' ' A' ' 662' ' ' LYS . 3.3 t80 -61.09 -37.1 81.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -55.2 -45.55 75.85 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 110.905 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.424 HG13 HD13 ' B' ' 845' ' ' LEU . 0.4 OUTLIER -64.3 -38.46 82.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.048 177.146 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -65.64 -38.27 88.89 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . 0.427 ' HE3' ' CD2' ' A' ' 658' ' ' TYR . 98.8 mttt -60.56 -43.13 97.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.262 177.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -59.17 -46.85 87.31 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.418 176.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.36 -45.11 94.66 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.165 0.29 . . . . 0.0 111.003 -178.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -64.55 -49.26 71.93 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.799 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.71 -175.898 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.477 HD11 ' HG2' ' A' ' 656' ' ' LYS . 5.1 mp . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.84 130.72 35.41 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.17 2.58 . . . . 0.0 113.355 -176.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' B' ' 850' ' ' MET . 46.8 m -55.74 -36.77 67.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.83 177.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -55.23 -41.14 71.7 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -177.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 16.4 mm -64.58 -38.48 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' B' ' 847' ' ' SER . 4.6 mmt . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.578 175.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 121.187 0.518 . . . . 0.0 111.571 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.496 HG13 HD23 ' A' ' 599' ' ' LEU . 61.0 t -138.0 133.97 44.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 173.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.596 HG23 ' H ' ' A' ' 599' ' ' LEU . 4.0 t -92.07 156.42 17.4 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.27 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -63.9 -38.75 92.22 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -55.8 -39.47 71.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.753 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.605 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 19.8 tp -56.28 -49.97 72.74 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.719 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -64.91 -44.12 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.604 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 17.7 p -64.88 -39.16 93.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.936 0.398 . . . . 0.0 110.198 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -56.28 -47.83 77.84 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.331 175.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 37.7 mt -62.22 -38.53 89.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.147 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 608' ' ' VAL . 53.0 t -64.28 -49.69 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.333 . . . . 0.0 110.535 -178.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -65.38 -40.0 92.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.949 0.404 . . . . 0.0 110.316 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -61.64 -39.54 91.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.482 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.88 -44.94 91.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.79 176.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.572 HG13 HD11 ' A' ' 628' ' ' LEU . 94.7 t -55.76 -45.81 79.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 121.029 0.443 . . . . 0.0 110.783 173.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -55.73 -39.91 71.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.209 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.64 92.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.48 178.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.2 mt -78.14 -27.7 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.511 -177.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -148.13 89.78 5.16 Favored Pre-proline 0 C--N 1.328 -0.363 0 C-N-CA 121.236 -0.185 . . . . 0.0 110.578 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -77.22 -36.84 1.21 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 121.733 1.622 . . . . 0.0 112.605 -176.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.494 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 35.3 p -64.91 126.04 90.29 Favored Pre-proline 0 C--O 1.235 0.325 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 6.0 Cg_exo -81.67 76.12 4.51 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.999 2.466 . . . . 0.0 111.352 174.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 21.0 m-20 -86.01 113.74 53.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.951 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 10.7 Cg_endo -54.06 -32.94 71.38 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 123.108 2.538 . . . . 0.0 113.278 -176.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -71.27 -50.95 27.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.506 178.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -59.14 -32.49 69.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.878 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -36.69 74.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.144 0.497 . . . . 0.0 110.226 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -103.23 16.43 26.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.985 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -99.37 131.94 45.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.905 0.383 . . . . 0.0 110.1 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -54.96 -34.76 63.58 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.943 177.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -53.15 -38.53 62.81 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 121.214 -0.194 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.533 ' O ' HG23 ' A' ' 629' ' ' VAL . 38.7 ttm -62.07 -38.34 88.43 Favored 'General case' 0 CA--C 1.527 0.085 0 CA-C-O 120.626 0.25 . . . . 0.0 110.736 178.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -58.04 -39.34 78.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.406 -177.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . 0.457 HD22 ' N ' ' A' ' 627' ' ' ASN . 0.9 OUTLIER -61.83 -48.69 79.46 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.084 -179.586 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.572 HD11 HG13 ' A' ' 608' ' ' VAL . 1.1 pp -66.15 -36.78 84.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.143 -178.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 625' ' ' MET . 81.8 t -63.62 -40.62 89.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.061 0.458 . . . . 0.0 110.068 176.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -58.24 -38.72 77.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.259 177.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -60.19 -39.3 86.02 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.6 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.94 99.03 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.936 0.398 . . . . 0.0 110.349 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 30.0 mmtp -54.44 -49.57 69.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.953 173.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 75.8 mmtt -55.25 -47.89 74.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.338 176.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.638 ' O ' ' HG2' ' A' ' 639' ' ' MET . 16.8 t -55.86 -51.34 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.648 176.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.6 OUTLIER -60.16 -39.34 86.08 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.544 -178.085 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -61.84 -45.25 96.59 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.597 177.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -64.18 -44.98 90.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.053 0.454 . . . . 0.0 110.901 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.638 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 21.9 mmt -63.92 -36.01 82.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.521 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -49.67 -38.16 31.59 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.16 -173.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.47 -50.68 62.49 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 120.304 -0.559 . . . . 0.0 110.884 177.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 644' ' ' ASN . 9.3 m -64.3 -36.96 85.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.214 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.91 21.21 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.782 1.633 . . . . 0.0 115.318 178.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.482 ' H ' ' C ' ' A' ' 642' ' ' SER . 4.2 t-20 -70.18 -9.87 57.08 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 25.6 m -132.34 142.57 49.38 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -55.5 -50.53 69.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.718 0.294 . . . . 0.0 111.606 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -62.39 -40.93 98.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.987 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.26 -47.14 86.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.812 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.85 -49.99 73.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.205 -175.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -64.21 -37.99 89.46 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 120.713 0.292 . . . . 0.0 111.654 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -64.3 -49.06 73.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.909 -174.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.589 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 75.8 mt -61.39 -50.31 73.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.132 -176.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.472 ' CD1' HD13 ' A' ' 603' ' ' LEU . 9.1 mt -61.75 -44.51 96.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.122 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.52 -47.25 79.74 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.662 -178.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 17.4 tt0 -59.71 -47.79 84.25 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.644 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 30.1 mmmt -63.63 -41.08 98.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.584 -176.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.533 ' O ' ' HG3' ' A' ' 661' ' ' GLN . 75.6 mt -62.31 -43.83 98.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -64.54 -39.05 93.04 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.751 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 74.5 mmtt -60.81 -45.14 95.59 Favored 'General case' 0 C--O 1.23 0.078 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.607 -177.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.641 HG13 HD13 ' B' ' 845' ' ' LEU . 1.4 mt -63.86 -38.13 81.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.899 177.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 40.2 mt-30 -65.36 -39.53 92.46 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -63.23 -40.13 96.58 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.089 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 23.6 mm-40 -61.12 -42.54 98.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.193 177.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 83.5 mt -56.49 -45.36 81.04 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 110.647 179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.27 -39.37 93.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.052 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.832 178.227 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.641 HD13 HG13 ' A' ' 660' ' ' ILE . 3.7 mp . . . . . 0 N--CA 1.456 -0.139 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -47.33 118.79 3.09 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.917 3.078 . . . . 0.0 113.944 -176.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' B' ' 850' ' ' MET . 22.3 t -55.66 -35.33 65.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.386 177.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -53.63 -39.92 65.39 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -174.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 26.7 mm -64.38 -39.21 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.451 ' HB2' ' O ' ' B' ' 847' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.115 174.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 13.5 p80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.038 0.446 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.455 HG13 HD23 ' A' ' 599' ' ' LEU . 46.0 t -130.03 129.23 65.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 167.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.8 t -96.54 163.53 12.99 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.56 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -62.99 -39.63 95.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.175 0.512 . . . . 0.0 109.877 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -58.16 -38.85 77.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.834 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.554 ' H ' HG23 ' A' ' 596' ' ' THR . 17.4 tp -55.46 -49.82 71.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.841 0.353 . . . . 0.0 110.447 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.425 ' HG2' ' OH ' ' A' ' 649' ' ' TYR . 38.1 mtm180 -65.12 -47.15 78.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.973 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . 0.407 ' O ' ' HD2' ' A' ' 605' ' ' HIS . 21.0 p -65.0 -39.68 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.463 0.173 . . . . 0.0 111.216 -176.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -55.64 -43.98 76.73 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.157 0.503 . . . . 0.0 110.251 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.457 HD13 ' CD1' ' A' ' 653' ' ' LEU . 46.7 mt -64.23 -36.42 84.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.147 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.18 -43.9 94.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.96 0.41 . . . . 0.0 110.269 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.407 ' HD2' ' O ' ' A' ' 601' ' ' SER . 71.8 m-70 -62.19 -38.78 90.41 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.534 178.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -60.08 -40.5 89.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.684 0.278 . . . . 0.0 110.809 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.76 -45.26 87.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.891 178.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.533 HG13 HD11 ' A' ' 628' ' ' LEU . 99.1 t -58.6 -46.88 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.22 0.534 . . . . 0.0 110.606 175.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -55.45 -40.68 71.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.946 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.21 95.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.605 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 39.8 mt -78.61 -33.46 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.786 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -154.43 102.81 2.38 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.767 -172.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -81.86 -38.19 0.22 Allowed 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 122.161 1.907 . . . . 0.0 113.139 -175.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 22.9 p -73.11 111.39 11.38 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -81.2 68.73 8.15 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.078 2.519 . . . . 0.0 111.345 176.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 13.5 t70 -69.56 129.02 91.83 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.949 -178.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -56.15 -26.28 59.52 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.137 2.558 . . . . 0.0 113.715 -176.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -85.91 -47.61 9.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . 0.401 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -59.04 -30.88 68.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.47 176.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -31.28 72.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.178 0.513 . . . . 0.0 109.699 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -97.55 15.14 24.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.687 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -99.87 133.54 44.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 -176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . 0.429 ' HD3' ' OE1' ' A' ' 626' ' ' GLU . 34.4 mmt180 -56.68 -37.68 71.2 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.954 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -64.6 -38.84 92.38 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.637 -174.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.424 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 40.6 ttm -57.09 -39.41 74.96 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.923 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . 0.429 ' OE1' ' HD3' ' A' ' 623' ' ' ARG . 48.4 mt-10 -61.34 -38.38 86.69 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.631 0.253 . . . . 0.0 110.631 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . 0.467 HD22 ' N ' ' A' ' 627' ' ' ASN . 0.9 OUTLIER -60.06 -42.49 94.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 -179.189 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.533 HD11 HG13 ' A' ' 608' ' ' VAL . 0.7 OUTLIER -67.44 -38.88 85.21 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 625' ' ' MET . 78.4 t -65.52 -45.44 92.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.296 0.569 . . . . 0.0 109.785 178.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -60.47 -37.63 81.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.705 176.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -62.02 -39.17 91.37 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.71 99.35 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.779 0.323 . . . . 0.0 110.185 176.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.694 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 30.2 mmtp -55.24 -49.42 72.07 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.488 0.661 . . . . 0.0 111.605 172.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -54.79 -45.02 74.25 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.286 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.488 ' O ' ' HG2' ' A' ' 639' ' ' MET . 9.2 t -56.62 -51.45 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.124 175.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.694 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 1.5 pp20? -56.42 -39.69 73.47 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 120.617 0.246 . . . . 0.0 110.922 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.42 -48.49 73.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.386 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.45 -42.34 96.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 111.056 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 24.2 mmt -57.77 -39.19 76.86 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.298 177.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -51.57 -37.05 47.96 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.7 0.625 . . . . 0.0 111.773 -173.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.53 -50.27 63.76 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.798 178.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . 0.515 ' C ' ' H ' ' A' ' 644' ' ' ASN . 2.9 t -66.03 -37.68 86.49 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.893 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 645' ' ' SER . . . -55.84 21.61 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.813 1.645 . . . . 0.0 114.82 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.515 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.8 t30 -79.41 23.23 0.4 Allowed 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.623 0.725 . . . . 0.0 109.677 -175.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . 0.409 ' H ' ' C ' ' A' ' 643' ' ' ALA . 70.4 m -159.92 134.89 7.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -54.76 -51.08 66.8 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -171.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -63.46 -40.97 98.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.296 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.601 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 43.9 tt0 -59.34 -46.5 88.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.398 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . 0.425 ' OH ' ' HG2' ' A' ' 600' ' ' ARG . 2.6 t80 -55.9 -49.69 72.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.245 -177.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -65.41 -38.79 90.99 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -65.33 -42.69 92.65 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.552 -177.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 83.1 mt -60.3 -49.45 77.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.869 -175.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.457 ' CD1' HD13 ' A' ' 603' ' ' LEU . 8.0 mt -64.68 -48.93 72.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.212 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.86 96.31 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.767 0.318 . . . . 0.0 111.758 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 25.3 tt0 -63.75 -42.01 97.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.152 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.571 ' CG ' HD11 ' B' ' 845' ' ' LEU . 23.3 ttmm -60.87 -44.33 97.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 177.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 653' ' ' LEU . 79.0 mt -64.07 -42.49 95.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -61.6 -37.99 85.96 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 75.0 mmtt -59.22 -47.52 85.05 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.765 0.317 . . . . 0.0 110.292 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.578 HG12 ' SD ' ' B' ' 850' ' ' MET . 0.2 OUTLIER -61.74 -37.52 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.737 177.694 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -65.0 -42.36 94.57 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -65.91 -40.59 91.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.835 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -62.45 -43.52 98.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.126 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 85.2 mt -61.27 -49.03 78.73 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.166 0.291 . . . . 0.0 111.2 -178.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.27 -38.99 91.99 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.32 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.014 177.812 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.571 HD11 ' CG ' ' A' ' 656' ' ' LYS . 6.3 mp . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.39 0.138 . . . . 0.0 110.687 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.62 135.57 56.21 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.411 2.74 . . . . 0.0 112.889 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 32.5 t -55.43 -37.33 67.53 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.073 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.28 -47.58 69.04 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -172.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 22.3 mm -65.23 -39.86 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.048 0.452 . . . . 0.0 110.071 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.578 ' SD ' HG12 ' A' ' 660' ' ' ILE . 10.8 mmt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.603 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.7 p80 . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.447 HG13 HD23 ' A' ' 599' ' ' LEU . 54.9 t -139.14 131.69 37.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 118.336 0.516 . . . . 0.0 110.204 174.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 599' ' ' LEU . 4.9 t -95.48 159.4 15.01 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.626 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -62.34 -39.74 94.1 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.066 0.46 . . . . 0.0 110.213 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -57.25 -40.53 77.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.851 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.554 ' H ' HG23 ' A' ' 596' ' ' THR . 21.0 tp -56.02 -50.31 71.26 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.845 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.505 ' HD3' ' OE1' ' A' ' 636' ' ' GLU . 66.5 mtt-85 -59.14 -50.53 73.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.113 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 37.4 m -64.42 -33.94 77.04 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -65.64 -49.08 69.97 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-O 121.251 0.548 . . . . 0.0 109.761 -174.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.479 HD13 ' CD1' ' A' ' 653' ' ' LEU . 35.9 mt -61.61 -39.01 89.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.439 -179.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 600' ' ' ARG . 53.0 t -59.22 -41.53 84.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 111.021 179.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -63.72 -38.03 89.56 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.612 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.3 -40.68 97.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.684 0.278 . . . . 0.0 110.744 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.11 -49.2 70.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.116 176.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 80.9 t -55.49 -43.49 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.082 174.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -56.6 -40.25 74.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.057 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.53 87.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 24.3 mt -79.47 -37.53 18.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.745 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -143.15 92.24 6.83 Favored Pre-proline 0 N--CA 1.451 -0.398 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -170.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -76.8 -35.58 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 121.947 1.765 . . . . 0.0 112.726 -174.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 23.1 p -63.61 111.01 4.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -176.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -82.2 73.18 5.78 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.101 2.534 . . . . 0.0 111.57 177.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 15.6 t70 -88.7 127.46 56.18 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.939 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -57.1 -32.15 92.44 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.357 2.705 . . . . 0.0 113.636 -175.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.61 -44.29 13.64 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -56.61 -29.9 62.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.305 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -30.02 71.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.088 0.47 . . . . 0.0 110.378 177.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -103.29 18.38 21.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.2 0.524 . . . . 0.0 110.481 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . 0.57 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 4.0 t70 -95.91 133.78 39.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.397 -173.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . 0.412 ' NH1' ' HG2' ' A' ' 626' ' ' GLU . 27.3 mmm180 -61.04 -39.31 89.34 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.083 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.57 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 20.4 ttp180 -55.08 -48.31 73.71 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 122.382 0.273 . . . . 0.0 110.727 175.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.555 ' O ' HG23 ' A' ' 629' ' ' VAL . 39.8 ttm -64.21 -40.44 96.08 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.052 175.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . 0.412 ' HG2' ' NH1' ' A' ' 623' ' ' ARG . 8.0 tp10 -60.74 -40.25 91.72 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -174.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -64.15 -41.73 97.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.566 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.0 OUTLIER -67.31 -38.76 85.47 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.086 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 625' ' ' MET . 88.4 t -64.57 -39.88 87.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.171 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -55.96 -39.19 71.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.402 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -65.05 -36.93 85.93 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.546 ' O ' ' HB ' ' A' ' 635' ' ' VAL . . . -59.13 -37.64 77.74 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.169 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.563 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -63.73 -40.8 97.63 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.853 176.265 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -57.86 -38.04 75.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.818 0.342 . . . . 0.0 110.16 176.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.592 ' O ' ' HG2' ' A' ' 639' ' ' MET . 5.4 t -54.32 -49.62 62.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.977 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.563 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.0 OUTLIER -56.0 -38.57 70.66 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 178.363 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.57 -48.69 75.49 Favored Glycine 0 C--O 1.227 -0.288 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.641 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.71 -42.85 97.88 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.688 0.28 . . . . 0.0 111.664 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 19.7 mmt -59.62 -36.94 77.33 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.276 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -48.47 -37.62 17.84 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.728 -1.124 . . . . 0.0 113.121 -170.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -65.35 -53.16 47.61 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.051 0.841 . . . . 0.0 110.765 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . 0.464 ' C ' ' H ' ' A' ' 644' ' ' ASN . 69.8 m -66.95 -39.11 87.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.676 177.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -58.83 20.02 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.464 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.3 t-20 -68.97 0.69 4.17 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.928 0.394 . . . . 0.0 110.519 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 45.1 p -137.42 150.46 47.66 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -57.78 -50.35 73.54 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.622 0.231 . . . . 0.0 111.622 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.47 -42.56 96.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.432 -175.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.499 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.6 tp10 -59.64 -41.89 91.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.612 -178.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -47.72 80.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.059 -175.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -64.16 -39.54 94.24 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.059 0.457 . . . . 0.0 110.88 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -65.52 -46.87 77.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.324 -172.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 39.8 mt -59.35 -49.94 75.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.307 -178.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.479 ' CD1' HD13 ' A' ' 603' ' ' LEU . 10.6 mt -60.88 -46.85 88.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.926 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.89 84.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.744 0.307 . . . . 0.0 111.613 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -63.37 -49.02 75.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.577 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.506 ' HG2' HD11 ' B' ' 845' ' ' LEU . 31.3 ttmt -65.55 -40.21 92.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.457 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 653' ' ' LEU . 78.5 mt -64.44 -40.48 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.641 0.258 . . . . 0.0 110.831 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -61.9 -37.17 83.64 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 656' ' ' LYS . 72.8 mmtt -55.7 -45.13 77.91 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-O 120.873 0.368 . . . . 0.0 110.41 177.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.609 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 0.1 OUTLIER -59.0 -38.34 73.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.034 177.692 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -65.78 -38.47 89.1 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.993 0.425 . . . . 0.0 110.06 -176.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -65.17 -46.99 78.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.451 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -65.2 -44.72 87.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.586 -177.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 89.7 mt -58.89 -44.95 91.3 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.735 0.302 . . . . 0.0 110.285 178.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -60.21 -42.37 94.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.302 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.295 -177.222 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.506 HD11 ' HG2' ' A' ' 656' ' ' LYS . 5.7 mp . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.28 129.91 10.86 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.831 3.021 . . . . 0.0 113.494 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 36.9 p -54.35 -36.83 64.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.982 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -54.62 -47.98 72.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.785 -178.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 28.0 mm -65.67 -40.85 89.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.038 0.447 . . . . 0.0 110.462 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.243 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.601 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.47 0.526 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.46 HG13 HD23 ' A' ' 599' ' ' LEU . 42.9 t -128.82 131.4 68.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 O-C-N 121.846 -0.534 . . . . 0.0 111.056 175.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.528 HG23 ' H ' ' A' ' 599' ' ' LEU . 4.3 t -95.92 161.75 13.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.826 176.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -64.49 -39.73 94.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.521 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -56.23 -38.84 71.61 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.878 177.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.528 ' H ' HG23 ' A' ' 596' ' ' THR . 14.0 tp -54.55 -45.71 73.51 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.056 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -64.25 -49.64 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.375 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 50.6 p -64.72 -40.34 95.17 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.565 -173.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -58.13 -42.52 85.97 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.052 0.453 . . . . 0.0 110.354 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.452 HD13 HD13 ' A' ' 653' ' ' LEU . 36.5 mt -64.12 -37.41 87.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.844 178.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.23 -43.1 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.763 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -64.34 -39.86 94.72 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.145 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -62.58 -39.93 95.26 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.406 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.52 -48.03 83.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.121 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 90.8 t -61.26 -44.75 98.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 176.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.34 -39.36 72.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.852 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.1 84.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.588 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 25.2 mt -83.85 -32.41 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.743 -175.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -156.73 93.11 2.4 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -176.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . 0.432 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 42.6 Cg_endo -74.54 -32.38 6.2 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 121.95 1.767 . . . . 0.0 113.676 -169.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 23.6 p -81.8 108.68 11.85 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 3.7 Cg_exo -79.6 73.15 6.15 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.128 2.552 . . . . 0.0 111.521 177.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.34 127.82 93.54 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.249 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.44 -26.25 52.72 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.299 2.666 . . . . 0.0 113.861 -175.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.05 -51.99 7.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.187 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -57.77 -28.04 63.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.343 175.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -29.09 69.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.044 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -104.35 15.9 27.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.313 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -90.49 127.0 36.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.067 0.461 . . . . 0.0 109.888 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -56.62 -37.02 70.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.47 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -61.75 -38.97 89.94 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.227 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.43 ' O ' HG23 ' A' ' 629' ' ' VAL . 41.3 ttm -57.39 -37.91 73.42 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.765 175.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -58.21 -39.28 78.62 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . 0.496 HD22 ' N ' ' A' ' 627' ' ' ASN . 0.9 OUTLIER -59.67 -40.18 86.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.337 177.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -38.78 84.13 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.491 177.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.637 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 89.0 t -63.29 -45.19 98.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.599 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.24 93.22 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.639 176.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -58.05 -41.35 83.12 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.08 79.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.844 0.354 . . . . 0.0 110.396 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.665 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 40.3 mmtm -54.88 -51.88 64.57 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.186 175.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -56.22 -47.69 77.93 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.602 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.528 ' O ' ' HG2' ' A' ' 639' ' ' MET . 12.8 t -56.53 -51.12 69.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.467 175.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.665 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.2 OUTLIER -58.65 -39.05 79.48 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.599 -179.553 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.45 -47.6 82.48 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.58 177.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -64.9 -46.49 81.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.675 0.274 . . . . 0.0 110.478 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.528 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.7 mmt -55.78 -36.06 66.95 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.912 177.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -52.3 -37.39 55.61 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.649 -176.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.28 -45.26 77.14 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.411 0.624 . . . . 0.0 110.31 176.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 644' ' ' ASN . 0.6 OUTLIER -63.44 -35.94 82.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.526 178.407 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.49 23.52 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.028 1.731 . . . . 0.0 115.036 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.481 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.7 t-20 -69.2 -0.46 6.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.835 0.35 . . . . 0.0 110.649 -175.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 27.6 p -148.89 145.46 27.46 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.186 174.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -55.36 -50.92 68.43 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -173.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -61.7 -42.94 99.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.08 -176.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.498 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 44.7 tt0 -61.23 -44.97 96.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.671 -178.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -56.72 -49.8 74.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.357 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.426 ' OH ' HD11 ' A' ' 599' ' ' LEU . 37.3 m-85 -67.39 -39.49 85.61 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 121.005 0.431 . . . . 0.0 110.704 -176.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -65.94 -43.12 88.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.738 -174.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 80.7 mt -62.42 -49.0 77.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.187 -177.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.504 ' O ' HG13 ' A' ' 657' ' ' ILE . 7.7 mt -63.65 -45.79 88.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 178.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.85 99.46 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.558 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -61.07 -40.44 93.68 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.43 ' O ' HG13 ' A' ' 660' ' ' ILE . 57.4 tttp -61.36 -43.89 98.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.096 176.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 653' ' ' LEU . 74.4 mt -62.77 -43.99 99.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 0.0 110.46 -178.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -65.07 -38.89 92.26 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -55.9 -48.55 75.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.049 0.452 . . . . 0.0 110.21 174.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.511 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 86.2 mt -59.76 -49.41 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.775 177.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -59.3 -38.32 79.94 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -62.48 -45.48 92.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.259 177.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -64.62 -38.92 92.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.814 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 90.8 mt -61.43 -40.92 96.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.161 0.505 . . . . 0.0 110.253 176.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.06 -41.69 86.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.297 0.57 . . . . 0.0 110.026 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.606 -177.12 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.748 0.309 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -73.39 171.5 17.57 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.866 2.377 . . . . 0.0 112.678 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 16.6 m -55.63 -50.35 70.41 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -168.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.7 -40.73 95.87 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -170.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 25.6 mm -63.84 -41.59 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.279 0.561 . . . . 0.0 109.755 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.419 ' CE ' ' HA ' ' B' ' 850' ' ' MET . 3.2 mmt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.401 176.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 121.05 0.453 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.549 HG13 HD23 ' A' ' 599' ' ' LEU . 72.9 t -134.36 132.83 55.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.831 -0.804 . . . . 0.0 108.831 169.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.517 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.2 t -91.96 156.58 17.34 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.791 0.329 . . . . 0.0 110.83 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -64.37 -38.39 90.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.01 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.53 -38.8 69.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.356 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.549 HD23 HG13 ' A' ' 595' ' ' VAL . 15.9 tp -58.09 -49.89 75.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.619 177.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -64.91 -46.67 80.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.461 -178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . 0.51 ' O ' ' HD2' ' A' ' 605' ' ' HIS . 23.2 p -63.44 -40.47 97.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.268 -175.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -39.42 94.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.018 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.511 HD13 ' CD1' ' A' ' 653' ' ' LEU . 39.7 mt -65.07 -38.0 89.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.755 -178.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.68 -45.71 96.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.886 0.375 . . . . 0.0 110.612 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.51 ' HD2' ' O ' ' A' ' 601' ' ' SER . 69.6 m-70 -62.53 -38.36 89.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.514 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -60.31 -40.65 91.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.743 0.306 . . . . 0.0 110.963 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.25 -41.08 94.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.058 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.512 HG13 HD11 ' A' ' 628' ' ' LEU . 70.2 t -61.55 -44.04 97.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.984 0.421 . . . . 0.0 110.197 174.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.1 -38.82 73.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.685 177.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.418 ' HB1' HG21 ' A' ' 660' ' ' ILE . . . -58.61 -39.18 79.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.76 178.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.403 HG13 ' CD1' ' A' ' 660' ' ' ILE . 23.7 mt -82.79 -35.14 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.355 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -155.55 101.93 2.2 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 -172.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -80.77 -31.9 1.29 Allowed 'Trans proline' 0 CA--C 1.528 0.219 0 C-N-CA 122.087 1.858 . . . . 0.0 112.981 -175.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 22.6 p -81.52 110.8 20.8 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -176.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -79.01 77.64 4.02 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.001 2.467 . . . . 0.0 111.619 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.634 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 14.3 t70 -71.11 129.15 89.66 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.892 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.94 -26.56 49.65 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.51 2.807 . . . . 0.0 113.839 -175.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -92.78 -47.06 7.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.937 0.399 . . . . 0.0 110.423 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . 0.634 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.58 -28.72 63.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.742 178.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -33.22 71.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.092 0.472 . . . . 0.0 110.732 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -100.94 18.3 19.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.111 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . 0.472 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 16.5 t70 -94.67 130.11 41.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.189 0.518 . . . . 0.0 111.153 -174.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . 0.437 ' O ' ' HB3' ' A' ' 626' ' ' GLU . 26.8 mmt180 -59.98 -38.85 83.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.117 -178.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.472 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 10.2 ttp180 -57.22 -46.61 82.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.96 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.508 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 41.1 ttm -60.21 -37.79 81.35 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.571 0.224 . . . . 0.0 110.838 175.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 623' ' ' ARG . 14.1 tp10 -54.75 -39.49 68.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.849 -177.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.04 -44.28 91.75 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.312 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.512 HD11 HG13 ' A' ' 608' ' ' VAL . 0.9 OUTLIER -67.76 -38.43 83.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.381 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.498 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 60.1 t -64.43 -40.92 90.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.846 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -58.9 -39.01 80.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.164 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . 0.491 ' HE2' HD23 ' B' ' 845' ' ' LEU . 42.6 t80 -64.44 -38.29 90.5 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 178.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.33 95.28 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.931 0.396 . . . . 0.0 110.084 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 629' ' ' VAL . 33.0 mmtm -55.71 -50.77 69.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.586 0.707 . . . . 0.0 111.41 172.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -55.22 -42.42 73.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.804 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.565 ' O ' ' HG2' ' A' ' 639' ' ' MET . 20.1 t -55.52 -48.49 77.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 175.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -55.97 -45.4 78.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.618 0.247 . . . . 0.0 110.673 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.05 -49.18 74.02 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.546 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.97 -46.1 86.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.963 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.565 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.6 mmt -62.65 -36.02 81.5 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.876 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -50.17 -37.91 37.03 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 123.631 0.582 . . . . 0.0 111.598 -175.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.77 -49.81 64.71 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.135 0.493 . . . . 0.0 110.64 176.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . 0.498 ' C ' ' H ' ' A' ' 644' ' ' ASN . 4.2 t -64.81 -37.43 87.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.169 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.53 21.09 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.498 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.8 t30 -79.94 17.51 0.96 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.211 0.529 . . . . 0.0 109.834 -176.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 37.4 p -158.92 137.95 11.28 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 172.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -54.45 -50.45 67.66 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -169.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.55 -40.34 96.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.156 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.574 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 22.8 tt0 -62.07 -45.68 92.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.356 -178.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -55.96 -49.98 72.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.16 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -65.31 -39.2 92.18 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 120.537 0.208 . . . . 0.0 111.519 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -65.74 -42.8 90.57 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.788 -173.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 67.8 mt -62.55 -50.52 71.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.367 -176.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.511 ' CD1' HD13 ' A' ' 603' ' ' LEU . 9.7 mt -64.7 -47.35 78.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.25 -178.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.79 88.17 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.464 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -62.05 -42.94 99.71 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.369 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -60.29 -40.69 91.36 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.398 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 653' ' ' LEU . 58.9 mt -62.31 -42.97 97.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.282 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . 0.448 ' HA ' HE21 ' A' ' 661' ' ' GLN . 4.7 t80 -65.11 -38.14 89.72 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.391 175.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 32.8 mmtp -57.79 -45.58 85.83 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 176.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.577 ' CD1' HD22 ' B' ' 845' ' ' LEU . 0.3 OUTLIER -59.11 -39.9 79.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 175.014 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . 0.448 HE21 ' HA ' ' A' ' 658' ' ' TYR . 49.2 mt-30 -65.04 -39.72 93.75 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -65.53 -41.27 93.26 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.426 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 19.6 mm-40 -65.11 -49.31 70.47 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.896 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.19 -40.49 85.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.538 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -64.98 -49.61 69.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 174.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.655 -172.751 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.577 HD22 ' CD1' ' A' ' 660' ' ' ILE . 5.0 mp . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -46.1 130.65 13.7 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 124.195 3.263 . . . . 0.0 114.107 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.0 t -55.7 -38.91 70.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.351 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -60.6 -38.95 86.36 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.874 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 34.7 mm -64.64 -38.7 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 120.945 0.403 . . . . 0.0 110.164 176.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 31.2 mmt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.216 177.317 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.238 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.05 -67.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.485 0.66 . . . . 0.0 110.255 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.29 -15.76 8.57 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.292 177.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -114.0 100.25 8.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.993 176.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -161.26 67.62 0.25 Allowed Glycine 0 N--CA 1.438 -1.209 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.62 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.93 -52.27 6.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.416 0.627 . . . . 0.0 109.814 178.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -7.77 54.97 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.276 -0.874 . . . . 0.0 112.666 -171.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 594' ' ' HIS . 6.0 pt-20 -53.21 -42.63 66.52 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -169.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.462 ' N ' ' HG3' ' A' ' 593' ' ' GLU . 14.7 p-80 -62.13 1.01 0.34 Allowed 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.525 HG13 HD23 ' A' ' 599' ' ' LEU . 87.7 t -136.3 131.91 48.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 170.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.618 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.1 t -89.27 153.43 20.91 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.206 178.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.85 -39.54 81.59 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.85 -40.7 89.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.113 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.618 ' H ' HG23 ' A' ' 596' ' ' THR . 23.6 tp -56.1 -49.93 72.46 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 120.914 0.388 . . . . 0.0 110.495 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -64.0 -48.99 74.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.293 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 15.6 p -64.83 -40.12 94.67 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.552 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -60.38 -49.36 77.88 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.24 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.444 HD13 HD13 ' A' ' 653' ' ' LEU . 89.2 mt -65.56 -38.44 89.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.737 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.444 HG11 ' CD ' ' A' ' 633' ' ' LYS . 37.9 t -63.87 -45.02 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.351 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -64.79 -39.72 94.06 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -57.56 -41.54 81.22 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.574 175.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.63 -49.89 74.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.859 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 89.5 t -58.87 -47.48 89.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.107 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -60.19 -39.43 86.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.19 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.74 -38.94 73.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.13 0.491 . . . . 0.0 110.416 175.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.426 HD11 HD11 ' B' ' 845' ' ' LEU . 33.7 mt -77.0 -31.58 18.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.558 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -155.71 97.57 2.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -175.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -81.06 -33.5 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.43 2.087 . . . . 0.0 113.726 -171.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 19.7 p -75.79 111.56 15.29 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.903 -0.135 . . . . 0.0 111.285 -176.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 4.2 Cg_exo -79.54 88.15 1.47 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.992 2.462 . . . . 0.0 112.129 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.428 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 30.1 t70 -82.35 123.42 79.1 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.754 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.88 -27.41 78.47 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.082 2.521 . . . . 0.0 113.467 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.69 -52.22 6.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.614 0.245 . . . . 0.0 110.406 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.428 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.45 -29.16 63.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.593 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.596 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -61.72 -31.98 72.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.348 0.594 . . . . 0.0 110.267 177.684 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -99.03 16.39 22.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.694 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -100.58 136.61 40.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.033 0.444 . . . . 0.0 110.566 -176.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -56.05 -38.07 70.11 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.503 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -61.92 -40.73 96.49 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.736 0.303 . . . . 0.0 110.341 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.596 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 42.7 ttm -63.95 -38.81 92.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.167 175.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -63.45 -38.77 92.42 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.574 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -40.49 88.57 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.999 0.428 . . . . 0.0 110.141 176.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -39.73 84.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.714 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 625' ' ' MET . 77.6 t -64.55 -42.14 94.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.156 0.503 . . . . 0.0 109.889 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.43 88.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.185 175.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.81 -38.93 87.08 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.334 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.97 98.4 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.733 0.302 . . . . 0.0 110.546 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.444 ' CD ' HG11 ' A' ' 604' ' ' VAL . 0.0 OUTLIER -64.21 -38.94 92.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.886 0.374 . . . . 0.0 110.83 174.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -56.81 -45.51 82.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.152 175.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.63 ' O ' ' HG2' ' A' ' 639' ' ' MET . 7.0 t -54.95 -46.61 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.893 172.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -55.73 -43.18 76.32 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.893 0.377 . . . . 0.0 110.604 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.27 -44.72 96.57 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.793 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.54 -42.15 95.91 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.631 -0.335 . . . . 0.0 111.787 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.63 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.9 mmt -62.95 -37.9 88.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.181 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.406 ' HA ' ' HB3' ' A' ' 643' ' ' ALA . 14.8 t80 -49.77 -37.29 29.23 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -169.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.0 -51.3 59.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.146 0.885 . . . . 0.0 110.754 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 644' ' ' ASN . 8.3 t -66.01 -39.87 90.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.579 177.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 645' ' ' SER . . . -57.58 20.17 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' A' ' 642' ' ' SER . 0.2 OUTLIER -75.6 26.65 0.11 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 118.294 0.497 . . . . 0.0 110.605 -177.234 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . 0.455 ' H ' ' C ' ' A' ' 643' ' ' ALA . 68.6 m -161.09 143.67 12.51 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.358 0.663 . . . . 0.0 109.553 178.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -55.82 -50.8 69.54 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -173.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.0 -43.93 97.8 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 111.03 -176.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -56.01 -49.26 74.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.56 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -58.53 -49.15 78.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.559 -175.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.93 -40.68 91.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 110.415 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -67.06 -41.45 86.41 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.288 -173.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.643 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 63.4 mt -57.08 -52.28 65.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.425 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.444 HD13 HD13 ' A' ' 603' ' ' LEU . 6.6 mt -65.8 -49.72 67.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.504 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.26 95.24 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -57.63 -46.67 83.84 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.019 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.643 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 43.8 mmtm -64.29 -39.88 94.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.519 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 653' ' ' LEU . 72.8 mt -58.91 -45.62 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.748 0.308 . . . . 0.0 110.705 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -64.86 -39.47 93.6 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 3.9 tppp? -58.19 -48.82 79.14 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.647 175.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.44 HD13 ' CD1' ' B' ' 845' ' ' LEU . 88.6 mt -63.47 -41.97 94.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.864 -176.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -65.05 -39.48 93.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.255 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -65.38 -40.61 93.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.48 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 6.4 mm-40 -57.26 -48.61 78.43 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.234 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.435 HD21 ' SD ' ' B' ' 850' ' ' MET . 82.3 mt -60.24 -49.38 77.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.431 -177.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -65.9 -43.38 88.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 0.0 110.804 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 669' ' ' ARG . 38.0 tt0 -61.57 -50.33 73.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.753 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.416 ' HE3' ' HG ' ' B' ' 854' ' ' LEU . 56.0 pttt -65.94 -38.62 89.13 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.195 -178.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . 0.403 ' HD3' ' CD1' ' B' ' 854' ' ' LEU . 49.2 ttp180 -65.77 -14.68 61.82 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.834 0.826 . . . . 0.0 111.504 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' A' ' 666' ' ' GLU . 43.5 ttm180 -64.42 -30.56 71.6 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.003 176.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 33.0 t -91.2 9.87 29.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.237 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.522 ' O ' ' HB2' ' A' ' 672' ' ' LEU . 13.5 ptm180 -54.62 156.16 3.68 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.775 -0.193 . . . . 0.0 110.692 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' A' ' 671' ' ' ARG . 56.1 mt . . . . . 0 C--O 1.245 0.862 0 O-C-N 123.968 0.793 . . . . 0.0 110.348 -172.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 CA--C 1.518 -0.254 0 CA-C-O 121.068 0.461 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -85.06 -10.63 56.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.413 0.625 . . . . 0.0 109.77 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 93.03 69.61 1.12 Allowed Glycine 0 N--CA 1.439 -1.114 0 CA-C-N 115.109 -0.95 . . . . 0.0 112.159 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . 0.427 ' HB3' ' HE2' ' A' ' 656' ' ' LYS . 13.1 m120 -66.81 -29.38 69.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.081 0.467 . . . . 0.0 110.304 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 4.0 mt -108.25 141.0 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 175.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.44 ' CD1' HD13 ' A' ' 660' ' ' ILE . 2.0 mt -77.88 134.12 64.94 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-O 120.818 0.342 . . . . 0.0 111.856 -172.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 845' ' ' LEU . 23.7 Cg_exo -63.89 162.39 29.05 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 123.091 2.527 . . . . 0.0 112.427 177.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 24.3 m -55.02 -49.21 72.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.89 -44.14 86.52 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -172.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 23.9 mm -65.16 -41.76 92.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.388 0.613 . . . . 0.0 110.013 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.492 ' HA ' ' HE2' ' B' ' 850' ' ' MET . 2.6 mmt -65.19 -38.97 92.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.112 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -57.01 -37.29 71.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.436 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -54.7 -49.0 71.76 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 123.03 0.206 . . . . 0.0 111.554 -175.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 6.7 p -65.01 -39.6 86.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.291 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . 0.416 ' HG ' ' HE3' ' A' ' 667' ' ' LYS . 3.6 mm? -63.41 -38.63 91.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -73.51 -25.23 60.34 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.105 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -93.47 128.99 39.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.135 0.493 . . . . 0.0 110.915 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 32.8 m -145.74 108.21 4.37 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.09 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 123.147 2.565 . . . . 0.0 112.618 -177.52 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 111.927 -0.469 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 34.2 m -102.43 158.85 4.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.454 ' HD2' ' C ' ' A' ' 588' ' ' ARG . 6.5 ppt_? -96.02 -6.01 39.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.094 0.473 . . . . 0.0 110.554 -177.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -118.87 101.28 7.94 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.31 0.576 . . . . 0.0 109.682 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -164.1 71.99 0.19 Allowed Glycine 0 N--CA 1.434 -1.438 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.43 ' HE3' ' H ' ' A' ' 592' ' ' HIS . 0.0 OUTLIER -82.47 -65.98 0.94 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.501 0.667 . . . . 0.0 110.55 -179.265 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . 0.43 ' H ' ' HE3' ' A' ' 591' ' ' TRP . 8.0 m80 -79.29 -13.76 59.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.875 -171.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -46.67 82.55 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -168.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.45 8.98 0.27 Allowed 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.43 HG13 HD23 ' A' ' 599' ' ' LEU . 97.4 t -138.98 133.83 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.628 HG23 ' H ' ' A' ' 599' ' ' LEU . 5.4 t -87.4 147.61 25.37 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 176.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -60.03 -38.37 82.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.421 0.629 . . . . 0.0 109.946 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -57.43 -39.74 76.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.901 177.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.628 ' H ' HG23 ' A' ' 596' ' ' THR . 17.8 tp -57.85 -50.36 73.56 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.861 0.362 . . . . 0.0 110.837 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.492 ' HD2' ' OE2' ' A' ' 636' ' ' GLU . 48.6 mtm180 -64.19 -48.14 77.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.079 -177.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 15.4 p -64.75 -40.02 94.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.632 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . 0.447 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 16.0 t-80 -57.53 -48.75 78.44 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.536 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 653' ' ' LEU . 30.7 mt -63.79 -37.63 88.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.189 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 608' ' ' VAL . 39.3 t -58.5 -47.67 87.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.519 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -64.95 -38.51 91.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.925 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 602' ' ' HIS . 28.0 mtpp -59.69 -40.49 88.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.983 0.42 . . . . 0.0 110.449 176.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 9.8 tt -63.54 -46.49 85.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.813 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.452 HG13 HD11 ' A' ' 628' ' ' LEU . 95.4 t -56.51 -43.76 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.972 172.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.23 -39.01 81.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.664 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.75 -39.76 92.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 28.2 mt -78.63 -33.44 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.541 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -147.14 88.95 5.69 Favored Pre-proline 0 N--CA 1.451 -0.422 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -173.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -74.59 -35.05 3.85 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 121.855 1.703 . . . . 0.0 112.939 -173.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 25.5 p -64.68 112.71 8.53 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.32 73.08 6.19 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.102 2.535 . . . . 0.0 111.591 177.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.436 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 26.8 t70 -90.13 126.48 56.89 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -57.74 -34.02 97.61 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.021 2.48 . . . . 0.0 113.251 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.49 -45.63 25.0 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.075 -0.391 . . . . 0.0 110.357 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.436 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.05 -33.01 66.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.336 176.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.455 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -61.17 -33.85 74.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.148 0.499 . . . . 0.0 110.798 177.227 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -103.38 18.12 22.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.795 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . 0.631 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 15.0 t0 -99.55 134.42 42.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.052 -175.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -54.91 -37.51 66.46 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.86 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.631 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 11.1 ttp180 -53.6 -49.19 68.32 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.087 0.242 . . . . 0.0 111.035 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.623 ' O ' HG23 ' A' ' 629' ' ' VAL . 50.3 ttm -64.95 -40.61 95.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.65 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.43 -39.17 93.32 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.598 0.237 . . . . 0.0 110.825 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.07 -47.13 87.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.747 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.2 pp -68.14 -37.75 81.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.382 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 625' ' ' MET . 97.8 t -64.54 -39.54 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 121.181 0.515 . . . . 0.0 110.079 177.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -55.88 -38.16 69.8 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.625 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -64.89 -37.35 87.33 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.501 ' O ' ' HB ' ' A' ' 635' ' ' VAL . . . -61.9 -39.79 93.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.943 0.402 . . . . 0.0 110.169 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -39.99 94.71 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.892 174.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 634' ' ' LYS . 13.2 tmtt? -57.69 -40.84 80.37 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.658 ' O ' ' HG2' ' A' ' 639' ' ' MET . 23.5 t -54.96 -50.46 62.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.619 175.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.492 ' OE2' ' HD2' ' A' ' 600' ' ' ARG . 10.8 tp10 -59.03 -48.57 81.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.726 0.298 . . . . 0.0 110.94 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.4 -45.38 96.3 Favored Glycine 0 C--N 1.328 0.12 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.355 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.22 -49.42 72.02 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 122.556 0.343 . . . . 0.0 111.485 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.658 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.8 mmt -59.38 -37.27 77.54 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.985 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.481 ' HA ' ' HB3' ' A' ' 643' ' ' ALA . 19.7 t80 -48.39 -36.26 14.31 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -170.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.81 -51.09 64.03 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 119.668 -0.813 . . . . 0.0 110.671 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . 0.465 ' C ' ' H ' ' A' ' 644' ' ' ASN . 21.9 t -67.31 -40.17 85.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.126 176.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 640' ' ' TYR . . . -56.62 20.48 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.465 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.1 t-20 -69.68 -0.97 7.77 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 118.097 0.408 . . . . 0.0 110.495 -177.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 44.5 p -135.81 147.75 48.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.638 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -55.4 -50.04 70.78 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.49 -43.36 99.01 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.016 -176.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 6.7 tp10 -58.69 -48.09 82.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.19 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -55.61 -49.2 73.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.913 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -66.82 -40.47 88.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.144 0.497 . . . . 0.0 110.865 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -43.9 86.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.708 -173.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.514 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 93.4 mt -58.86 -49.33 78.15 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.027 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 603' ' ' LEU . 15.5 mt -64.7 -47.8 77.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.548 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.03 -49.09 74.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.693 0.283 . . . . 0.0 111.637 -176.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -60.94 -46.28 91.33 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.352 0.596 . . . . 0.0 110.031 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.62 ' HG3' HD11 ' B' ' 845' ' ' LEU . 0.1 OUTLIER -64.66 -44.78 89.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.937 -172.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.28 -41.19 91.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.772 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.49 -38.07 88.67 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.25 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' B' ' 843' ' ' ASN . 43.4 mmtm -57.43 -46.39 83.61 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.88 0.371 . . . . 0.0 110.828 177.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.796 HG13 HD13 ' B' ' 845' ' ' LEU . 0.8 OUTLIER -61.11 -37.91 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.91 177.315 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -64.62 -38.59 91.52 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -39.41 93.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.132 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 16.0 mm-40 -59.96 -40.81 90.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.85 174.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 63.1 mt -57.4 -43.18 83.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.954 0.407 . . . . 0.0 109.981 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -61.5 -48.5 80.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.482 176.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 669' ' ' ARG . 8.0 tp10 -63.27 -49.64 73.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.795 -174.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.544 ' HB2' ' HG ' ' B' ' 854' ' ' LEU . 27.3 mmtp -65.68 -41.4 92.49 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.94 -177.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -75.45 -15.98 60.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.947 0.88 . . . . 0.0 111.008 -178.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 666' ' ' GLU . 32.2 tpt180 -66.17 -26.72 67.54 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.364 175.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 7.8 t -73.64 11.4 0.83 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.309 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -59.23 139.47 56.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.813 0.339 . . . . 0.0 110.623 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 98.3 mt . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.039 179.574 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -84.79 -8.96 58.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.111 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 99.49 104.5 2.56 Favored Glycine 0 N--CA 1.439 -1.128 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.775 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . 0.484 ' O ' ' HG3' ' A' ' 659' ' ' LYS . 0.9 OUTLIER -63.65 -38.73 92.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.831 0.348 . . . . 0.0 110.108 179.147 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 14.3 mt -110.65 139.23 35.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.796 HD13 HG13 ' A' ' 660' ' ' ILE . 3.7 mp -91.63 153.83 44.01 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.894 -0.139 . . . . 0.0 110.871 -172.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -30.9 117.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 124.971 3.781 . . . . 0.0 114.511 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.9 m -55.42 -39.61 70.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.315 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -56.06 -44.56 79.0 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.365 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 26.9 mm -64.28 -42.13 94.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.039 0.447 . . . . 0.0 110.115 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.515 ' O ' HD23 ' B' ' 854' ' ' LEU . 0.0 OUTLIER -64.57 -44.97 89.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.496 177.632 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.34 -39.41 94.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . 0.426 ' CE2' ' HG3' ' A' ' 624' ' ' ARG . 12.0 t80 -61.1 -49.01 79.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.251 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 6.6 p -65.23 -40.94 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.763 0.316 . . . . 0.0 111.252 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . 0.544 ' HG ' ' HB2' ' A' ' 667' ' ' LYS . 2.7 mm? -62.28 -37.48 85.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.778 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -65.99 -19.09 65.74 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.735 0.302 . . . . 0.0 111.432 -175.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -116.23 156.01 27.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.899 0.38 . . . . 0.0 110.115 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' B' ' 858' ' ' PRO . 30.9 m -136.79 125.28 15.01 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 857' ' ' THR . 39.6 Cg_exo . . . . . 0 C--O 1.247 0.972 0 C-N-CA 122.877 2.385 . . . . 0.0 112.448 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.439 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 30.9 m -126.16 156.21 36.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 -174.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.429 ' HD2' ' C ' ' A' ' 588' ' ' ARG . 7.4 ppt_? -114.02 -6.65 13.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.703 0.287 . . . . 0.0 111.155 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -125.25 79.88 1.84 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 122.125 0.964 . . . . 0.0 110.253 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -157.66 60.46 0.33 Allowed Glycine 0 N--CA 1.438 -1.184 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.39 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.404 ' HE3' ' H ' ' A' ' 592' ' ' HIS . 0.0 OUTLIER -81.46 -60.54 2.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.56 0.695 . . . . 0.0 110.038 -176.492 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . 0.404 ' H ' ' HE3' ' A' ' 591' ' ' TRP . 26.1 m80 -97.92 2.71 49.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.903 -173.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' A' ' 595' ' ' VAL . 7.3 pt-20 -58.95 -29.87 67.46 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -174.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.32 20.5 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.973 0.416 . . . . 0.0 111.923 174.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.537 HG13 HD23 ' A' ' 599' ' ' LEU . 9.4 t -134.27 131.08 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 168.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.586 HG23 ' H ' ' A' ' 599' ' ' LEU . 5.4 t -88.72 154.83 19.98 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.234 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -64.26 -39.97 95.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.968 0.413 . . . . 0.0 109.943 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -55.89 -40.68 73.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.884 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.586 ' H ' HG23 ' A' ' 596' ' ' THR . 16.6 tp -56.28 -48.1 77.29 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.243 0.544 . . . . 0.0 110.273 177.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -64.41 -49.75 70.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.666 -174.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 8.8 p -66.08 -39.38 89.99 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.04 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -59.05 -45.92 89.55 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.034 0.445 . . . . 0.0 110.092 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.481 HD13 ' CD1' ' A' ' 653' ' ' LEU . 67.7 mt -63.85 -37.99 89.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.668 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.85 -42.2 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.889 0.376 . . . . 0.0 110.518 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -63.79 -38.91 92.86 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.17 -41.02 91.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.77 0.319 . . . . 0.0 110.851 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.54 -43.78 92.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.211 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.522 HG13 HD11 ' A' ' 628' ' ' LEU . 91.4 t -61.65 -43.98 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.102 0.477 . . . . 0.0 110.601 175.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.64 -38.63 85.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.897 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.8 83.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.654 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 23.2 mt -77.25 -31.54 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.684 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -150.28 99.81 3.21 Favored Pre-proline 0 C--N 1.326 -0.437 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.31 -174.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -79.6 -34.97 0.88 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.005 1.804 . . . . 0.0 113.294 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 7.5 p -81.11 112.0 28.97 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 5.6 Cg_exo -82.55 77.1 3.84 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.118 2.545 . . . . 0.0 111.787 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.45 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 30.1 t70 -74.15 126.53 89.08 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.838 177.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.88 -27.38 72.13 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.15 2.567 . . . . 0.0 113.7 -175.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -86.64 -50.07 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -56.9 -27.75 61.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.403 175.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.414 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -62.6 -30.36 71.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.753 178.543 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -101.97 16.28 26.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.705 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -99.73 136.84 39.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.26 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.81 -36.93 65.48 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.965 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.547 ' HG3' ' CE2' ' B' ' 852' ' ' PHE . 21.8 ttm-85 -53.89 -46.97 71.53 Favored 'General case' 0 C--O 1.233 0.185 0 O-C-N 123.07 0.232 . . . . 0.0 110.969 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.574 ' O ' HG23 ' A' ' 629' ' ' VAL . 51.0 ttm -65.1 -40.46 94.59 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.644 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.39 -38.93 91.48 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.749 0.309 . . . . 0.0 110.704 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.49 -44.68 95.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 177.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.0 OUTLIER -67.33 -37.74 83.8 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 178.411 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 625' ' ' MET . 80.9 t -63.04 -40.08 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.961 0.41 . . . . 0.0 110.069 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.471 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -55.92 -39.34 71.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.083 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.45 ' HE2' HD23 ' B' ' 845' ' ' LEU . 27.4 t80 -63.52 -36.93 85.39 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.383 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.89 -40.62 85.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.803 0.335 . . . . 0.0 110.321 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -40.37 94.96 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.892 175.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 75.3 mmtt -59.05 -41.61 88.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.258 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.68 ' O ' ' HG2' ' A' ' 639' ' ' MET . 11.5 t -54.78 -50.15 63.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.731 172.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -56.08 -44.15 78.68 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.54 -48.7 74.59 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.609 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.45 -46.74 84.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.76 0.28 . . . . 0.0 111.529 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.68 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.9 mmt -64.05 -37.72 88.47 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.002 -177.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -48.88 -38.05 21.45 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.122 0.889 . . . . 0.0 113.099 -167.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.33 -51.42 57.49 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.685 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . 0.464 ' C ' ' H ' ' A' ' 644' ' ' ASN . 23.3 t -66.49 -38.86 88.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.299 177.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.29 20.51 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.464 ' H ' ' C ' ' A' ' 642' ' ' SER . 1.9 t30 -87.89 23.13 2.12 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 49.3 m -150.82 133.16 15.48 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.071 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -55.33 -51.63 66.13 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -170.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.37 -40.53 97.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.999 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.2 tp10 -59.13 -49.36 78.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.148 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -55.86 -48.67 75.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.158 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -63.61 -41.72 98.28 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 120.752 0.31 . . . . 0.0 111.567 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -66.2 -45.07 82.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.449 -172.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.663 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 80.7 mt -57.24 -50.01 74.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.044 -177.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.481 ' CD1' HD13 ' A' ' 603' ' ' LEU . 7.2 mt -64.94 -48.25 74.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.749 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.96 -45.22 78.93 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 123.107 0.254 . . . . 0.0 111.468 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -57.12 -45.7 83.23 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.703 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 46.6 mmtm -66.12 -41.59 90.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.549 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.13 -49.97 82.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 0.0 110.649 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -64.91 -37.78 88.77 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 0.7 OUTLIER -57.67 -49.3 76.95 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.816 0.341 . . . . 0.0 110.817 179.173 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.709 HG13 HD13 ' B' ' 845' ' ' LEU . 1.0 OUTLIER -62.44 -38.93 82.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 177.689 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -64.23 -38.09 89.81 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.183 0.516 . . . . 0.0 109.721 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -63.99 -40.62 96.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.026 177.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 25.1 mm-40 -63.91 -44.32 93.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.832 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 71.9 mt -55.62 -48.53 74.77 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.0 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.94 -40.39 96.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.714 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 669' ' ' ARG . 8.9 tp10 -64.43 -49.59 70.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.189 -176.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 0.7 OUTLIER -67.84 -37.5 81.97 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 178.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . 0.452 ' HA ' ' HB3' ' A' ' 671' ' ' ARG . 96.5 mtt180 -65.29 -3.01 3.48 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.258 0.552 . . . . 0.0 111.873 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 666' ' ' GLU . 42.7 ttp180 -46.08 -33.56 3.56 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.682 168.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 32.1 t -122.24 -31.02 3.91 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.931 171.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.452 ' HB3' ' HA ' ' A' ' 668' ' ' ARG . 14.0 ptm180 50.89 48.03 23.68 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.677 0.751 . . . . 0.0 111.993 168.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 C--O 1.248 0.997 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.077 179.575 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 121.184 0.516 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -105.03 14.87 28.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.832 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 94.04 161.71 35.31 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.331 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -85.42 17.07 3.33 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.37 0.605 . . . . 0.0 110.055 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 23.9 mt -115.03 142.74 26.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.145 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.709 HD13 HG13 ' A' ' 660' ' ' ILE . 2.8 mp -89.21 142.08 29.68 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 -176.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -46.37 126.02 9.65 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 124.105 3.204 . . . . 0.0 114.175 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 9.4 p -54.75 -35.98 64.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.412 -1.267 . . . . 0.0 111.11 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -52.92 -45.45 67.6 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.527 -175.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 37.3 mm -65.49 -39.72 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.509 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.493 ' O ' HD23 ' B' ' 854' ' ' LEU . 0.0 OUTLIER -62.25 -42.2 99.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.208 176.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.55 -39.41 94.35 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.86 172.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . 0.547 ' CE2' ' HG3' ' A' ' 624' ' ' ARG . 8.2 t80 -58.5 -46.65 86.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.949 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 3.6 p -67.05 -41.18 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.55 175.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . 0.493 HD23 ' O ' ' B' ' 850' ' ' MET . 2.6 mm? -59.39 -38.61 81.0 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.513 0.197 . . . . 0.0 111.229 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -90.98 33.99 0.93 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.181 0.515 . . . . 0.0 110.796 -176.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -93.44 162.02 14.14 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 122.076 -0.39 . . . . 0.0 110.425 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 15.5 m -154.38 74.87 5.94 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.953 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo . . . . . 0 C--O 1.249 1.038 0 C-N-CA 122.982 2.455 . . . . 0.0 111.994 -177.706 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.489 0 N-CA-C 113.833 0.293 . . . . 0.0 113.833 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 34.6 m -35.3 139.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 125.021 1.071 . . . . 0.0 112.342 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 588' ' ' ARG . 2.7 ppt_? -107.58 -9.07 15.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.728 -171.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -96.21 117.83 31.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.42 0.629 . . . . 0.0 109.308 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' A' ' 593' ' ' GLU . . . -179.46 67.92 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -175.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 -59.97 -40.76 90.19 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.135 -0.533 . . . . 0.0 112.399 -171.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -62.21 -17.84 59.38 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.161 0.801 . . . . 0.0 113.161 -171.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 590' ' ' GLY . 0.3 OUTLIER -91.06 -15.17 29.97 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -177.321 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -132.82 15.08 4.33 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.396 0.617 . . . . 0.0 110.973 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.41 HG13 HD23 ' A' ' 599' ' ' LEU . 55.3 t -136.98 134.1 47.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.394 172.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.561 HG23 ' H ' ' A' ' 599' ' ' LEU . 4.2 t -94.55 151.57 19.23 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.218 -177.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.415 ' OE1' ' HA ' ' A' ' 597' ' ' GLN . 7.0 tp60 -56.39 -40.46 74.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.28 0.562 . . . . 0.0 110.3 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.56 -39.0 79.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.628 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.601 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 17.8 tp -55.27 -51.77 65.58 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-O 120.613 0.244 . . . . 0.0 111.239 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 604' ' ' VAL . 78.9 mtm180 -58.86 -50.68 73.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.983 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 6.1 p -64.25 -38.59 91.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.846 0.355 . . . . 0.0 110.939 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -57.7 -49.25 77.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.171 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 33.4 mt -64.06 -40.11 95.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.506 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 600' ' ' ARG . 71.6 t -57.9 -49.31 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.565 0.221 . . . . 0.0 110.643 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -60.83 -39.6 89.64 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.961 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.11 -40.95 97.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.976 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.91 -45.26 86.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.539 HG13 HD11 ' A' ' 628' ' ' LEU . 54.4 t -55.88 -44.28 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.468 173.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.23 -39.83 80.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.34 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.461 ' HB1' HG21 ' A' ' 660' ' ' ILE . . . -62.61 -43.64 98.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.841 0.353 . . . . 0.0 110.811 178.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 43.8 mt -70.98 -33.15 50.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.953 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -156.73 91.99 2.47 Favored Pre-proline 0 CA--C 1.534 0.333 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -172.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -80.04 -9.2 14.23 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.676 2.251 . . . . 0.0 113.949 -171.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 28.5 p -99.38 109.73 55.86 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.032 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -75.44 55.32 4.14 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 123.131 2.554 . . . . 0.0 112.223 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.64 123.29 84.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.894 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -57.97 -40.05 81.05 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.25 2.633 . . . . 0.0 113.675 -173.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -68.4 -41.46 80.42 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.22 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.77 87.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.471 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.541 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -48.39 -32.64 7.89 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.59 170.469 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -97.93 16.73 20.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.668 0.27 . . . . 0.0 111.545 -177.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -94.69 137.3 33.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.014 0.435 . . . . 0.0 110.579 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -60.96 -35.89 77.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.154 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -61.47 -38.86 88.78 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.207 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.541 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 45.4 ttm -58.9 -37.87 77.6 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.926 175.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.51 -40.23 82.28 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -63.25 -43.52 97.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.891 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.539 HD11 HG13 ' A' ' 608' ' ' VAL . 0.6 OUTLIER -67.48 -39.72 85.26 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.614 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 625' ' ' MET . 92.1 t -59.65 -42.72 89.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.321 176.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.85 90.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.934 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -64.47 -41.24 96.61 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.604 0.24 . . . . 0.0 110.547 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.77 96.58 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.658 0.266 . . . . 0.0 110.584 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -60.96 -40.27 92.71 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.242 175.33 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -59.36 -41.48 89.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.109 0.48 . . . . 0.0 110.111 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.569 ' O ' ' HG2' ' A' ' 639' ' ' MET . 38.8 t -60.89 -49.98 82.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.323 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.586 ' O ' ' HB2' ' A' ' 640' ' ' TYR . 2.8 pt-20 -54.74 -38.67 67.44 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.04 -50.76 56.07 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.092 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.5 -46.29 83.61 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.989 0.423 . . . . 0.0 111.054 -177.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.571 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 17.3 mmt -62.56 -35.78 80.56 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.928 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.586 ' HB2' ' O ' ' A' ' 636' ' ' GLU . 6.2 t80 -47.89 -38.19 15.83 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.505 1.128 . . . . 0.0 112.437 -173.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -66.44 -50.32 63.77 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.638 0.654 . . . . 0.0 111.083 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . 0.474 ' C ' ' H ' ' A' ' 644' ' ' ASN . 16.1 m -65.88 -38.62 89.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.569 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -48.1 20.62 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.474 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.8 t-20 -69.56 -5.09 22.07 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.635 -0.666 . . . . 0.0 110.181 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 18.6 m -139.16 141.98 38.0 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -49.15 73.55 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.061 0.226 . . . . 0.0 111.332 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -60.73 -42.3 97.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.971 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -60.33 -48.24 82.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.612 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.06 -48.74 77.82 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.534 -176.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -65.6 -37.23 86.04 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.584 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -63.78 -49.12 74.19 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.956 0.408 . . . . 0.0 110.191 -175.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.571 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 76.7 mt -58.07 -49.77 75.77 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.427 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' ' 657' ' ' ILE . 8.3 mt -65.73 -48.21 72.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.727 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.18 85.09 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -57.13 -47.91 79.97 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.413 177.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.401 ' HE3' ' CG2' ' A' ' 635' ' ' VAL . 23.1 ttmm -59.25 -40.65 86.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.798 178.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 653' ' ' LEU . 63.3 mt -65.82 -43.25 93.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.763 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -65.31 -38.58 90.63 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.036 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.584 ' HG3' ' O ' ' B' ' 843' ' ' ASN . 73.6 mmtt -57.37 -40.32 77.9 Favored 'General case' 0 CA--C 1.524 -0.043 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.78 175.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.699 HG13 HD13 ' B' ' 845' ' ' LEU . 0.1 OUTLIER -56.22 -38.58 55.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.378 173.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -67.31 -39.67 85.94 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.482 0.658 . . . . 0.0 109.315 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' A' ' 666' ' ' GLU . 28.8 tptp -65.36 -43.68 90.04 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.74 178.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.63 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 31.1 mt-10 -64.69 -45.61 85.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.387 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 96.1 mt -55.51 -40.18 71.43 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.084 0.469 . . . . 0.0 109.805 176.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.56 -49.49 76.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.852 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 662' ' ' LYS . 62.9 mm-40 -59.86 -41.76 92.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.014 -177.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 29.4 mmmt -59.4 -41.41 89.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.954 0.407 . . . . 0.0 110.692 -177.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -35.23 29.41 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.549 0.69 . . . . 0.0 110.432 -178.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.532 ' O ' ' HD3' ' A' ' 669' ' ' ARG . 2.5 tmt_? -71.64 -37.64 70.82 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.627 -173.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 13.9 t -61.96 -43.03 99.69 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.909 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -66.01 100.52 0.59 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 118.431 0.56 . . . . 0.0 110.956 169.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 55.9 mt . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.88 -0.581 . . . . 0.0 110.029 -179.581 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.46 0.648 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -91.85 4.22 53.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.934 0.873 . . . . 0.0 109.292 172.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 77.56 64.87 2.0 Allowed Glycine 0 N--CA 1.441 -0.992 0 CA-C-N 114.43 -1.259 . . . . 0.0 112.102 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . 0.584 ' O ' ' HG3' ' A' ' 659' ' ' LYS . 15.3 m120 -61.92 -34.5 76.19 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 25.0 mt -118.98 140.02 44.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 171.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.699 HD13 HG13 ' A' ' 660' ' ' ILE . 5.8 mp -81.23 167.9 28.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 120.512 0.196 . . . . 0.0 110.486 -173.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.89 127.7 17.45 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.082 1.855 . . . . 0.0 111.424 172.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 50.7 m -54.76 -37.93 66.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.635 -176.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -56.77 -39.72 74.56 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.488 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.79 -40.3 88.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.435 0.636 . . . . 0.0 109.438 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.513 ' O ' HG12 ' B' ' 853' ' ' VAL . 32.3 mmt -64.58 -38.52 91.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.661 176.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.27 -40.09 70.6 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.07 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -60.98 -47.08 88.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.78 -176.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . 0.513 HG12 ' O ' ' B' ' 850' ' ' MET . 11.4 p -63.79 -38.4 82.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.87 -176.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.1 -39.22 92.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.823 0.344 . . . . 0.0 110.187 172.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -69.25 -40.03 78.12 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.066 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -92.46 149.64 21.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.06 0.457 . . . . 0.0 110.664 -174.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 66.5 m -137.75 97.01 10.32 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.582 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 C--O 1.25 1.098 0 C-N-CA 123.037 2.491 . . . . 0.0 111.631 178.341 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.633 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 589' ' ' LYS . 30.4 m -128.5 173.09 14.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.1 -0.55 . . . . 0.0 109.803 -178.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 588' ' ' ARG . 6.1 ppt_? -66.74 -4.79 9.83 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -175.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.431 ' H ' HG23 ' A' ' 587' ' ' VAL . 73.8 tttt -116.5 104.86 11.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.782 0.801 . . . . 0.0 109.629 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 151.92 63.45 0.01 OUTLIER Glycine 0 C--N 1.315 -0.615 0 CA-C-N 114.448 -1.251 . . . . 0.0 111.491 -174.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -56.97 3.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.54 0.686 . . . . 0.0 110.296 -175.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -92.51 4.96 52.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.577 -173.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -84.78 -14.68 47.42 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.889 0.699 . . . . 0.0 112.889 -167.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -131.13 18.67 4.95 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.914 -0.491 . . . . 0.0 111.552 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 38.9 t -143.53 135.21 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 122.255 0.222 . . . . 0.0 110.541 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.548 HG23 ' H ' ' A' ' 599' ' ' LEU . 8.0 t -94.08 165.24 12.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.649 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -64.16 -44.64 91.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.929 0.395 . . . . 0.0 110.456 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.36 -40.13 77.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.365 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.548 ' H ' HG23 ' A' ' 596' ' ' THR . 18.6 tp -55.63 -49.95 71.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.975 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.504 ' O ' HG23 ' A' ' 604' ' ' VAL . 36.6 mtm180 -62.01 -49.52 75.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.237 -176.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . 0.433 ' O ' ' HD2' ' A' ' 605' ' ' HIS . 9.8 p -65.3 -39.84 93.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.986 -177.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -60.54 -45.88 92.25 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.527 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 56.2 mt -61.42 -37.54 83.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.233 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 600' ' ' ARG . 76.7 t -59.26 -41.34 83.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.433 ' HD2' ' O ' ' A' ' 601' ' ' SER . 17.3 m-70 -64.29 -38.69 91.94 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -58.12 -42.08 85.0 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.689 176.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 8.8 tt -65.55 -50.04 66.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.29 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.402 HG13 HD11 ' A' ' 628' ' ' LEU . 99.5 t -56.12 -41.59 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.041 175.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -55.91 -40.01 72.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.744 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.74 93.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.62 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.4 mt -82.63 -30.66 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.641 0.258 . . . . 0.0 110.596 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -155.09 91.22 2.92 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.33 . . . . 0.0 110.362 -174.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -80.67 -35.21 0.58 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.153 1.902 . . . . 0.0 112.602 -176.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 22.9 p -62.27 114.13 10.82 Favored Pre-proline 0 C--N 1.33 -0.269 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.9 Cg_exo -79.52 75.14 5.21 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.072 2.515 . . . . 0.0 111.465 176.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.456 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 16.9 t70 -82.18 121.82 79.01 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.609 176.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.6 -25.77 79.96 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.144 2.562 . . . . 0.0 113.159 -175.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.19 -48.06 10.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.751 0.31 . . . . 0.0 110.18 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -58.71 -30.47 67.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.384 175.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -32.46 71.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.19 0.519 . . . . 0.0 110.024 177.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -100.15 16.85 22.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.18 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . 0.4 ' OD2' ' HB2' ' A' ' 624' ' ' ARG . 29.8 t70 -95.02 127.55 41.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.06 0.457 . . . . 0.0 110.497 -177.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -55.8 -37.31 68.46 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.911 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.4 ' HB2' ' OD2' ' A' ' 622' ' ' ASP . 2.1 mmp_? -64.13 -37.71 88.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.128 -0.229 . . . . 0.0 111.258 -177.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.4 ' O ' HG23 ' A' ' 629' ' ' VAL . 39.3 ttm -55.19 -38.02 67.82 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.642 176.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -56.36 -38.45 71.43 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.972 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -60.41 -44.21 95.94 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.989 0.423 . . . . 0.0 110.357 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.408 ' HG ' ' N ' ' A' ' 629' ' ' VAL . 0.1 OUTLIER -66.78 -40.76 88.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.621 -178.172 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.408 ' N ' ' HG ' ' A' ' 628' ' ' LEU . 52.1 t -65.77 -42.13 91.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 121.319 0.58 . . . . 0.0 110.075 178.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.25 92.75 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.836 177.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.401 ' O ' ' HB2' ' A' ' 634' ' ' LYS . 51.5 t80 -63.97 -38.14 90.0 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 176.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.64 77.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.274 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -39.93 92.54 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.106 174.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 631' ' ' TYR . 14.0 mptt -57.03 -46.85 82.07 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.737 0.303 . . . . 0.0 110.455 176.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.716 ' O ' ' HG2' ' A' ' 639' ' ' MET . 9.8 t -54.94 -50.34 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.779 175.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -57.02 -41.51 78.68 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.786 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.82 -47.77 79.41 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.727 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.46 -44.0 96.32 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.902 0.382 . . . . 0.0 111.301 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.716 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.6 mmt -57.61 -35.89 71.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.665 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -50.82 -35.41 32.13 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.293 -0.867 . . . . 0.0 113.205 -171.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.6 -50.85 69.65 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.953 0.797 . . . . 0.0 109.927 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 644' ' ' ASN . 14.9 m -65.15 -37.57 87.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.578 177.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -54.6 20.52 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.496 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.8 t-20 -68.31 -1.87 7.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.01 0.433 . . . . 0.0 110.092 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 55.6 p -142.0 145.2 34.17 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.986 175.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -55.46 -49.77 71.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.765 0.316 . . . . 0.0 111.652 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.66 -41.18 97.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.623 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.613 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 6.4 tp10 -59.96 -45.17 93.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.852 0.358 . . . . 0.0 110.266 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.64 -49.61 72.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.247 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -65.34 -38.77 91.13 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 122.517 0.327 . . . . 0.0 111.839 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -65.65 -42.85 90.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.858 0.361 . . . . 0.0 110.774 -176.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 63.6 mt -60.97 -50.48 73.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.95 -177.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.483 ' O ' HG13 ' A' ' 657' ' ' ILE . 9.1 mt -62.3 -45.58 92.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.912 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.86 -47.76 79.65 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.827 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -59.69 -46.99 87.39 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 29.8 mmtp -64.76 -38.67 91.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.077 -176.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 653' ' ' LEU . 83.4 mt -60.18 -43.2 92.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 176.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -64.44 -38.03 89.61 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -57.54 -47.39 82.14 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.943 0.401 . . . . 0.0 110.114 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.429 HG13 HD13 ' B' ' 845' ' ' LEU . 0.5 OUTLIER -63.83 -39.17 84.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.383 178.425 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -65.57 -40.09 92.39 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.215 0.531 . . . . 0.0 109.655 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -65.63 -39.64 91.69 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.043 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 24.4 mm-40 -56.62 -49.31 75.35 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.038 177.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.77 -42.41 97.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.328 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.3 -50.26 68.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.765 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -59.13 -50.17 75.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.872 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 17.3 ptpt -65.27 -40.98 94.6 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -175.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -80.09 -22.12 42.56 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.871 0.843 . . . . 0.0 111.001 -177.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -65.24 -27.83 68.93 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 114.581 -1.19 . . . . 0.0 109.659 174.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 26.4 t -92.02 -4.95 53.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.433 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -175.52 91.48 0.05 Allowed 'General case' 0 C--O 1.233 0.192 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -175.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 90.6 mt . . . . . 0 C--O 1.25 1.124 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.016 168.228 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 121.208 0.527 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -96.51 -6.16 37.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.674 0.75 . . . . 0.0 109.651 174.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 85.32 46.82 5.42 Favored Glycine 0 CA--C 1.498 -0.999 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.533 -177.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -75.06 -38.3 61.4 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 113.895 -1.152 . . . . 0.0 110.125 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 33.1 mt -135.87 137.76 48.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.429 HD13 HG13 ' A' ' 660' ' ' ILE . 5.5 mp -81.15 149.09 65.44 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 120.558 0.218 . . . . 0.0 111.232 -174.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . 0.413 ' O ' ' HG2' ' B' ' 850' ' ' MET . 68.2 Cg_exo -42.61 130.27 5.23 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 124.562 3.508 . . . . 0.0 114.493 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 34.2 m -60.92 -39.43 89.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.583 -1.19 . . . . 0.0 111.502 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -62.76 -40.27 96.74 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.446 -174.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 33.3 mm -63.47 -43.46 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' B' ' 846' ' ' PRO . 26.1 mmm -59.16 -38.7 80.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.992 175.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -63.74 -38.13 89.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.471 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.32 -44.22 75.63 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -176.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 3.5 p -65.07 -42.55 94.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.384 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.26 -37.7 88.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.501 0.191 . . . . 0.0 111.041 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -66.78 -22.29 66.03 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 110.663 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . 0.447 ' O ' ' HD3' ' B' ' 858' ' ' PRO . 9.3 t30 -93.57 134.43 35.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.882 0.372 . . . . 0.0 110.058 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 18.9 m -84.94 110.39 27.84 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.57 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' B' ' 856' ' ' ASN . 13.4 Cg_exo . . . . . 0 C--O 1.246 0.902 0 C-N-CA 122.888 2.392 . . . . 0.0 111.873 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.801 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 23.6 m -121.48 155.52 25.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.497 0.189 . . . . 0.0 110.649 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.431 ' HD2' ' C ' ' A' ' 588' ' ' ARG . 2.8 ppt_? -81.23 -15.15 56.45 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.196 0.522 . . . . 0.0 110.129 -178.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 589' ' ' LYS . 42.6 tttp -119.79 67.19 0.81 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.734 1.254 . . . . 0.0 108.128 177.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -143.13 48.82 0.75 Allowed Glycine 0 N--CA 1.438 -1.186 0 CA-C-N 113.783 -1.553 . . . . 0.0 112.387 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.95 -42.89 13.65 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 176.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -95.5 5.18 52.22 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.009 -176.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.7 -30.14 42.34 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -172.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -78.42 24.96 0.25 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.196 0.522 . . . . 0.0 111.723 176.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.617 HG13 HD23 ' A' ' 599' ' ' LEU . 12.7 t -134.72 131.91 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 168.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.634 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.7 t -88.37 154.13 20.63 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.322 177.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -63.01 -38.97 93.34 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -57.71 -39.94 78.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.895 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.634 ' H ' HG23 ' A' ' 596' ' ' THR . 16.9 tp -56.38 -47.47 78.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.262 0.553 . . . . 0.0 110.003 177.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.4 ' O ' HG23 ' A' ' 604' ' ' VAL . 78.8 mtt180 -64.92 -48.01 75.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.75 -177.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.9 p -64.33 -38.64 91.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.503 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -55.64 -45.59 77.6 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.668 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 653' ' ' LEU . 26.4 mt -64.6 -38.47 91.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.108 178.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 600' ' ' ARG . 55.4 t -64.13 -42.7 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.322 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -61.62 -40.31 94.4 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.321 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -64.16 -39.12 93.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.65 -43.54 93.3 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.633 HG13 HD11 ' A' ' 628' ' ' LEU . 73.4 t -59.08 -46.23 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.495 0.664 . . . . 0.0 109.943 174.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.45 -38.07 76.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.972 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.19 88.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.005 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 29.2 mt -78.44 -34.96 18.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -156.98 102.52 1.93 Allowed Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -175.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -77.47 -33.42 2.44 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.018 1.812 . . . . 0.0 113.14 -171.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 23.4 p -77.37 112.41 23.53 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.584 0.23 . . . . 0.0 111.579 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.9 Cg_exo -77.61 74.94 4.95 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.976 2.451 . . . . 0.0 111.194 176.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.512 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 18.1 t70 -70.62 124.56 91.12 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.023 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.414 ' O ' ' HE2' ' A' ' 621' ' ' LYS . 13.0 Cg_endo -57.46 -30.96 90.0 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.261 2.64 . . . . 0.0 113.237 -175.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.4 -48.04 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.512 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.44 -28.61 63.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.238 175.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.505 HD22 ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -61.07 -31.07 70.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.303 0.573 . . . . 0.0 109.636 178.318 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . 0.414 ' HE2' ' O ' ' A' ' 617' ' ' PRO . 46.9 mtmt -104.16 14.84 29.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.076 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -100.33 141.26 33.43 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . 0.542 ' HD3' ' OE2' ' A' ' 626' ' ' GLU . 27.6 mmt180 -55.53 -36.44 66.75 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.968 177.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.455 ' HG3' ' CD1' ' B' ' 852' ' ' PHE . 38.3 ttm180 -53.97 -49.98 67.54 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.466 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.533 ' O ' HG23 ' A' ' 629' ' ' VAL . 52.4 ttm -66.11 -39.05 89.63 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.001 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . 0.542 ' OE2' ' HD3' ' A' ' 623' ' ' ARG . 40.3 mt-10 -60.74 -40.55 92.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.585 0.231 . . . . 0.0 111.129 -175.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -42.78 99.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.21 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.633 HD11 HG13 ' A' ' 608' ' ' VAL . 1.1 pp -67.61 -38.03 83.38 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 625' ' ' MET . 74.5 t -64.77 -41.52 92.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 121.304 0.574 . . . . 0.0 109.989 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -61.84 -38.38 87.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.842 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -63.23 -38.18 90.17 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.4 96.77 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.447 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -39.46 94.26 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.761 0.315 . . . . 0.0 110.905 174.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -56.49 -46.86 80.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.755 176.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.582 ' O ' ' HG2' ' A' ' 639' ' ' MET . 4.6 t -54.93 -47.11 76.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.23 173.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -56.03 -40.73 73.89 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.87 -50.01 66.93 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.98 -44.78 91.68 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.787 0.327 . . . . 0.0 111.336 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.6 mmt -64.65 -38.48 91.15 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.525 -178.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -52.97 -39.98 63.38 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.439 0.462 . . . . 0.0 111.352 -175.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -67.22 -46.81 72.69 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.387 0.613 . . . . 0.0 110.416 176.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 644' ' ' ASN . 9.3 m -64.11 -36.33 83.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.134 -0.939 . . . . 0.0 112.023 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.35 22.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.5 t-20 -70.13 -2.25 12.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.074 0.464 . . . . 0.0 110.177 -176.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 38.2 p -145.95 140.6 27.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.922 174.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -54.81 -50.35 68.77 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -175.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.72 -40.42 87.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.226 -176.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -64.17 -46.62 83.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.783 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -55.38 -49.26 72.79 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.766 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -65.59 -40.07 92.29 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -66.98 -41.08 87.39 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.819 -174.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.537 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 80.8 mt -60.67 -49.83 75.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.048 -178.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 603' ' ' LEU . 11.5 mt -64.67 -44.04 91.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.153 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.13 -43.87 78.64 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -61.3 -40.81 95.53 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.339 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 0.2 OUTLIER -63.32 -45.49 91.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.043 -179.172 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.459 ' O ' ' HG3' ' A' ' 661' ' ' GLN . 65.5 mt -64.69 -43.57 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.778 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -64.53 -38.32 90.61 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.494 ' O ' ' HG3' ' A' ' 662' ' ' LYS . 1.7 tppp? -58.58 -44.95 89.94 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.014 0.435 . . . . 0.0 110.073 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.558 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 0.2 OUTLIER -65.21 -38.6 83.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.485 176.026 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 27.7 mt-30 -65.31 -41.58 93.91 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.667 -174.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 659' ' ' LYS . 0.0 OUTLIER -65.71 -36.66 84.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.332 176.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.639 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 11.3 mm-40 -61.93 -46.79 87.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.043 175.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 88.7 mt -55.47 -48.76 74.02 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 123.123 0.264 . . . . 0.0 111.302 -175.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -65.62 -38.16 88.63 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.639 0.257 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -64.07 -44.69 91.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.527 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.639 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 22.7 mmtp -66.32 -37.76 86.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.297 0.57 . . . . 0.0 109.85 177.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -58.91 -17.44 24.29 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.759 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -46.17 -37.26 6.8 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.57 175.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 97.6 p -101.59 -47.35 4.67 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.037 174.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 53.54 73.49 0.37 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.435 0.636 . . . . 0.0 110.611 176.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.348 176.848 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 . . . . . 0 CA--C 1.519 -0.217 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -104.6 36.79 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.604 -175.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 80.93 86.93 0.63 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.622 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -91.96 -58.87 2.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.181 0.515 . . . . 0.0 110.697 178.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 37.7 mt -127.65 143.96 39.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.465 HD22 ' CD1' ' A' ' 660' ' ' ILE . 5.4 mp -80.39 127.89 74.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . 0.44 ' HG2' HG12 ' B' ' 849' ' ' ILE . 30.3 Cg_endo -62.71 154.66 64.14 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 123.877 3.052 . . . . 0.0 114.951 -167.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' B' ' 850' ' ' MET . 19.8 m -55.07 -37.02 66.22 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 113.587 -1.642 . . . . 0.0 111.537 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -54.69 -48.98 71.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.45 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . 0.44 HG12 ' HG2' ' B' ' 846' ' ' PRO . 33.2 mm -65.66 -38.31 82.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.28 177.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.425 ' HB2' ' O ' ' B' ' 847' ' ' SER . 3.8 mmt -55.07 -39.63 69.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.335 174.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.12 -36.98 66.31 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.531 176.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . 0.455 ' CD1' ' HG3' ' A' ' 624' ' ' ARG . 21.0 m-30 -62.81 -50.35 71.34 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.173 -175.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 3.3 p -67.02 -41.39 87.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 120.677 0.275 . . . . 0.0 111.471 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.01 -38.25 90.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.356 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . 0.404 ' NZ ' ' HB2' ' B' ' 855' ' ' LYS . 0.1 OUTLIER -80.87 -0.25 38.17 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.794 0.331 . . . . 0.0 111.335 -174.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . 0.453 ' O ' ' HD3' ' B' ' 858' ' ' PRO . 45.5 t-20 -114.88 128.79 56.5 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 27.7 m -98.06 106.55 35.49 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.969 -177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' B' ' 856' ' ' ASN . 3.8 Cg_exo . . . . . 0 C--O 1.249 1.074 0 C-N-CA 122.801 2.334 . . . . 0.0 111.418 177.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.75 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 19.0 m -117.96 154.78 19.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.418 ' HD2' ' C ' ' A' ' 588' ' ' ARG . 5.6 ppt_? -105.57 -11.95 16.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.601 -178.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -67.58 129.13 38.95 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.139 0.495 . . . . 0.0 110.268 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . 0.747 ' O ' ' HG3' ' A' ' 593' ' ' GLU . . . -165.78 55.55 0.25 Allowed Glycine 0 N--CA 1.437 -1.267 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.442 ' HA ' ' NE2' ' A' ' 594' ' ' HIS . 5.3 m-90 -54.6 -44.25 72.88 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.865 0.364 . . . . 0.0 111.246 -175.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -73.66 -23.57 59.86 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.747 ' HG3' ' O ' ' A' ' 590' ' ' GLY . 0.1 OUTLIER -84.18 -17.53 39.63 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.748 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.442 ' NE2' ' HA ' ' A' ' 591' ' ' TRP . 29.4 p80 -106.04 38.75 1.94 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.311 -0.556 . . . . 0.0 111.495 174.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.463 HG13 HD23 ' A' ' 599' ' ' LEU . 53.7 t -133.97 132.85 56.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 170.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.509 HG23 ' H ' ' A' ' 599' ' ' LEU . 1.8 t -94.39 163.85 13.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.565 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -63.65 -40.26 96.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.388 0.613 . . . . 0.0 109.643 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.65 -38.39 78.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.098 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.529 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 18.8 tp -54.38 -49.66 69.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.083 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.537 ' HD3' ' CD1' ' A' ' 640' ' ' TYR . 38.9 mtm180 -65.41 -43.86 89.25 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 52.7 p -64.57 -39.27 93.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.258 0.551 . . . . 0.0 110.092 -178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -56.02 -49.1 74.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.238 176.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 76.2 mt -62.87 -38.58 91.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.04 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.3 -40.76 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.979 0.419 . . . . 0.0 110.634 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -62.42 -37.72 86.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.285 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -55.81 -44.67 78.06 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.98 -43.64 91.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.23 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.544 HG13 HD11 ' A' ' 628' ' ' LEU . 90.0 t -64.02 -43.35 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 177.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . 0.514 ' OE1' ' HA ' ' A' ' 613' ' ' PRO . 5.9 tp-100 -60.93 -40.48 93.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.271 -179.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.74 83.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.15 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 33.5 mt -76.24 -34.6 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.976 -174.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -156.69 95.34 2.24 Favored Pre-proline 0 C--N 1.33 -0.263 0 O-C-N 122.101 -0.374 . . . . 0.0 110.048 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . 0.514 ' HA ' ' OE1' ' A' ' 609' ' ' GLN . 55.3 Cg_endo -78.26 -30.03 3.64 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.157 1.905 . . . . 0.0 113.262 -173.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 25.6 p -75.23 111.75 15.27 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.0 Cg_exo -79.31 73.61 5.94 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.078 2.519 . . . . 0.0 111.503 177.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.442 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 18.2 t70 -70.09 127.86 92.01 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.837 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -56.09 -26.39 59.52 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.222 2.614 . . . . 0.0 113.366 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -86.32 -46.81 9.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.814 0.34 . . . . 0.0 110.163 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -59.42 -31.48 69.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.679 176.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -27.73 67.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.285 0.564 . . . . 0.0 110.239 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -99.75 16.1 24.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.343 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . 0.624 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 17.9 t70 -99.92 134.17 43.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.326 -175.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -63.3 -38.67 92.07 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.278 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.624 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 35.7 ttm180 -57.86 -39.96 79.02 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.865 -0.152 . . . . 0.0 111.054 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.52 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 41.5 ttm -58.49 -39.0 78.8 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.124 176.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.46 -38.11 79.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.624 0.249 . . . . 0.0 110.948 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.48 -41.8 90.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.443 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.544 HD11 HG13 ' A' ' 608' ' ' VAL . 0.9 OUTLIER -66.73 -38.93 87.65 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.557 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.56 -43.07 96.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.34 0.59 . . . . 0.0 109.974 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 634' ' ' LYS . . . -59.37 -39.4 83.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.332 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -61.15 -38.77 87.62 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.32 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.28 86.75 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.725 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.669 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -63.96 -40.34 96.2 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.748 0.308 . . . . 0.0 111.387 175.826 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 630' ' ' ALA . 64.5 mttm -59.13 -45.9 89.74 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.547 ' O ' ' HG2' ' A' ' 639' ' ' MET . 11.1 t -57.68 -51.59 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.689 174.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.669 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.2 OUTLIER -56.48 -39.53 73.37 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 121.215 -0.194 . . . . 0.0 110.994 -178.572 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.31 -49.24 62.32 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.52 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.67 -40.88 97.93 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 24.0 mmt -61.63 -38.08 86.34 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.273 177.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.537 ' CD1' ' HD3' ' A' ' 600' ' ' ARG . 6.5 t80 -50.93 -37.44 44.23 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.593 0.558 . . . . 0.0 111.751 -173.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -50.28 63.25 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.646 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . 0.528 ' C ' ' H ' ' A' ' 644' ' ' ASN . 23.2 t -65.06 -36.95 85.97 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.808 178.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.64 22.49 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.993 1.717 . . . . 0.0 114.725 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.528 ' H ' ' C ' ' A' ' 642' ' ' SER . 1.5 t-20 -70.25 1.1 5.2 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.087 0.47 . . . . 0.0 109.951 -177.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 19.7 m -140.01 138.53 35.53 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.545 173.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.43 ' O ' ' HD1' ' A' ' 650' ' ' TYR . 11.7 mmm180 -55.16 -51.16 67.38 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -174.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -59.99 -40.64 89.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 6.7 tp10 -56.52 -48.4 77.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.104 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.99 -49.46 76.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.462 -175.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.43 ' HD1' ' O ' ' A' ' 646' ' ' ARG . 68.4 m-85 -66.53 -40.19 88.99 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.175 0.512 . . . . 0.0 110.749 -176.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -40.85 86.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.257 -175.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.689 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 96.9 mt -61.08 -50.89 71.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 3.2 mt -61.31 -45.05 96.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.929 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.62 -42.18 82.81 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.604 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.58 -46.06 90.08 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.674 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.689 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 59.0 mmtt -64.98 -40.3 94.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 -175.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.449 ' O ' ' HG3' ' A' ' 661' ' ' GLN . 80.7 mt -61.66 -40.87 88.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.275 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -64.06 -37.21 86.62 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 74.2 mmtt -57.11 -47.96 79.79 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.759 0.314 . . . . 0.0 110.291 177.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.539 ' CD1' HD22 ' B' ' 845' ' ' LEU . 0.3 OUTLIER -63.08 -38.04 81.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.985 177.156 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 94.8 mt-30 -65.55 -39.72 92.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.199 0.523 . . . . 0.0 109.631 -178.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -64.82 -41.13 96.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.186 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.66 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 65.7 mm-40 -57.64 -46.62 83.94 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.663 178.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 92.2 mt -58.28 -42.49 86.69 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.583 0.552 . . . . 0.0 111.117 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.41 -45.45 90.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.124 0.487 . . . . 0.0 109.872 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -64.66 -37.92 89.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.601 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.66 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 37.6 mmtm -61.77 -41.21 97.42 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -69.78 -27.71 65.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 122.212 1.006 . . . . 0.0 110.371 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -74.63 -25.47 59.24 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 113.659 -1.61 . . . . 0.0 109.862 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 10.3 t -98.89 -2.88 36.55 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.302 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 38.31 86.24 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 O-C-N 124.237 0.961 . . . . 0.0 112.213 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 70.2 mt . . . . . 0 C--O 1.246 0.872 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.129 -174.583 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 CA--C 1.519 -0.246 0 CA-C-O 121.389 0.614 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . 0.507 ' O ' ' HE3' ' A' ' 656' ' ' LYS . . . -82.3 65.69 7.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.147 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 82.82 106.55 0.47 Allowed Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.058 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -74.18 -64.64 0.97 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.175 0.512 . . . . 0.0 109.752 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 43.9 mt -138.71 146.99 25.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 176.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.539 HD22 ' CD1' ' A' ' 660' ' ' ILE . 5.9 mp -79.46 134.85 57.67 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.698 0.285 . . . . 0.0 110.551 -174.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -43.92 137.36 6.88 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 124.471 3.447 . . . . 0.0 114.877 -174.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 6.2 p -55.44 -37.56 67.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.172 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -54.52 -47.8 72.7 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.743 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 38.9 mm -65.15 -39.85 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.998 0.428 . . . . 0.0 110.32 178.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.462 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 3.0 mmt -56.62 -38.53 72.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.996 177.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -55.44 -38.09 68.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.354 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -55.61 -50.71 69.43 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 -175.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 6.1 p -66.65 -39.84 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 120.697 0.284 . . . . 0.0 111.367 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.61 -39.26 93.4 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.728 0.299 . . . . 0.0 111.034 177.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -72.78 -22.63 60.81 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.314 -176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -92.04 148.63 22.04 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 3.5 m -124.66 85.93 56.2 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.031 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo . . . . . 0 C--O 1.25 1.105 0 C-N-CA 122.371 2.048 . . . . 0.0 112.005 177.757 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 121.037 0.243 . . . . 0.0 113.363 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . 0.555 HG23 ' HD2' ' A' ' 589' ' ' LYS . 16.1 m -145.09 145.56 20.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 176.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.481 ' O ' ' HD2' ' A' ' 588' ' ' ARG . 6.3 ppt_? -68.4 4.03 1.51 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -172.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.555 ' HD2' HG23 ' A' ' 587' ' ' VAL . 0.0 OUTLIER -44.94 119.72 2.08 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.929 0.871 . . . . 0.0 111.416 -176.504 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 161.36 80.95 0.04 OUTLIER Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.119 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.79 -47.06 10.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.017 0.913 . . . . 0.0 108.728 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -98.7 5.45 47.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.09 -174.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.39 -29.79 25.91 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -171.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.484 ' CD2' ' H ' ' A' ' 594' ' ' HIS . 0.3 OUTLIER -79.63 24.18 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.032 0.444 . . . . 0.0 111.477 177.345 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.541 HG13 HD23 ' A' ' 599' ' ' LEU . 86.9 t -137.68 133.69 45.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.622 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.7 t -91.19 164.15 14.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.873 0.368 . . . . 0.0 111.258 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -64.57 -42.11 95.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.393 0.616 . . . . 0.0 109.795 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -59.27 -39.54 83.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.306 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.622 ' H ' HG23 ' A' ' 596' ' ' THR . 20.6 tp -54.3 -47.73 72.1 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.059 -177.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.51 ' HD3' ' CE1' ' A' ' 640' ' ' TYR . 30.5 mtm105 -57.43 -50.7 72.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.544 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 22.0 p -64.14 -40.18 95.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.859 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -58.99 -48.97 79.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.153 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.506 HD13 ' CD1' ' A' ' 653' ' ' LEU . 47.6 mt -63.73 -38.28 90.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.186 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 600' ' ' ARG . 55.3 t -57.78 -40.61 76.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.555 0.217 . . . . 0.0 110.966 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -62.79 -38.22 89.8 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 121.183 -0.207 . . . . 0.0 110.766 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -58.54 -39.53 80.46 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.179 0.514 . . . . 0.0 110.483 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.13 -48.92 74.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.591 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.429 HG13 HD11 ' A' ' 628' ' ' LEU . 92.3 t -56.37 -42.91 75.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.03 173.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -55.97 -41.58 74.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.744 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.432 ' HB1' HG21 ' A' ' 660' ' ' ILE . . . -61.7 -40.28 94.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.673 178.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 36.2 mt -80.52 -33.95 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.617 0.246 . . . . 0.0 110.732 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -154.88 90.17 3.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 -171.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -78.38 -32.77 2.14 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.024 1.816 . . . . 0.0 112.534 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 25.2 p -64.2 119.48 56.23 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -77.13 91.46 1.17 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.078 2.519 . . . . 0.0 110.992 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 14.7 t70 -102.98 124.65 37.81 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.294 -177.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.61 -32.38 96.57 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.191 2.594 . . . . 0.0 113.693 -175.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -89.43 -47.04 8.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.551 0.215 . . . . 0.0 110.743 -176.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.615 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -56.7 -28.79 61.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.502 176.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -30.1 71.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.245 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -102.79 16.67 25.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.006 0.431 . . . . 0.0 110.789 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -99.58 133.53 43.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.489 -175.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -60.74 -38.71 86.09 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.576 -176.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -39.54 75.39 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 122.318 0.247 . . . . 0.0 110.902 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.55 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 46.1 ttm -62.02 -39.02 90.87 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.602 175.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.12 -38.62 87.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.885 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . 0.418 HD22 ' N ' ' A' ' 627' ' ' ASN . 0.9 OUTLIER -57.48 -46.89 83.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.746 179.469 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.1 pp -66.75 -38.85 87.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.875 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 625' ' ' MET . 99.4 t -65.26 -40.75 89.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.283 0.563 . . . . 0.0 110.144 178.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.2 87.26 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.73 176.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -64.42 -36.92 85.74 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 629' ' ' VAL . . . -55.37 -39.95 70.72 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.084 0.468 . . . . 0.0 110.096 178.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -39.89 95.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.528 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -56.1 -47.11 78.68 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.724 0.297 . . . . 0.0 110.555 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.556 ' O ' ' HG2' ' A' ' 639' ' ' MET . 12.4 t -55.95 -44.47 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.995 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.487 ' OE2' ' HB3' ' A' ' 600' ' ' ARG . 6.3 tt0 -54.88 -45.83 74.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.38 178.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.44 -48.82 74.96 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.694 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.08 -41.5 97.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.797 0.299 . . . . 0.0 111.186 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.556 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 21.7 mmt -64.58 -36.97 85.94 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.229 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.51 ' CE1' ' HD3' ' A' ' 600' ' ' ARG . 4.3 t80 -49.75 -37.05 27.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.199 -0.91 . . . . 0.0 113.058 -170.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.21 -50.5 65.63 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.52 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . 0.519 ' C ' ' H ' ' A' ' 644' ' ' ASN . 19.5 m -64.35 -37.53 87.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.848 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.44 19.15 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.519 ' H ' ' C ' ' A' ' 642' ' ' SER . 0.1 OUTLIER -83.24 19.31 1.51 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.498 0.666 . . . . 0.0 109.231 -179.673 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 35.3 m -151.08 134.63 16.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -55.24 -51.02 67.96 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -170.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.17 -40.87 97.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.743 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 19.4 tt0 -61.44 -43.37 98.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.935 -177.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.77 -50.34 73.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.757 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -66.17 -39.42 89.74 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -65.16 -42.36 93.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.75 0.31 . . . . 0.0 110.438 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.51 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 93.3 mt -64.07 -48.34 76.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.0 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.514 ' O ' HG13 ' A' ' 657' ' ' ILE . 13.7 mt -64.29 -45.53 87.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.253 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.13 91.27 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.124 0.265 . . . . 0.0 111.439 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -57.39 -43.87 84.0 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.464 0.65 . . . . 0.0 109.483 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.414 ' HZ2' HG11 ' A' ' 635' ' ' VAL . 1.3 tmmm? -58.93 -41.27 86.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.826 178.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 653' ' ' LEU . 64.4 mt -64.33 -44.01 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.867 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -63.41 -38.86 92.76 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 36.9 mmtm -57.29 -45.08 84.45 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.725 177.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.498 HD11 HD22 ' B' ' 845' ' ' LEU . 0.1 OUTLIER -62.93 -37.18 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.301 177.479 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . 0.492 ' O ' ' HG3' ' A' ' 665' ' ' GLU . 92.0 mt-30 -65.1 -41.69 94.7 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -175.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 662' ' ' LYS . 70.3 mmtt -66.6 -40.38 88.83 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.114 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 67.9 mm-40 -58.77 -49.2 78.53 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.773 0.32 . . . . 0.0 110.633 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 668' ' ' ARG . 89.4 mt -59.05 -48.38 81.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 661' ' ' GLN . 52.0 mt-10 -64.8 -42.71 94.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.703 0.287 . . . . 0.0 110.759 -178.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -59.56 -51.22 70.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.214 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -45.03 74.96 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -175.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 664' ' ' LEU . 29.4 ptt180 -76.08 -18.02 59.37 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.504 0.668 . . . . 0.0 111.82 -172.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 665' ' ' GLU . 36.0 ttp-105 -66.27 -31.07 71.66 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.398 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 32.6 t -98.44 -2.41 39.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.014 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -95.55 64.22 2.55 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.26 0.552 . . . . 0.0 110.12 -176.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.245 -0.883 . . . . 0.0 109.19 175.677 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . 0.491 ' HA ' ' OD1' ' B' ' 843' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 120.99 0.424 . . . . 0.0 111.695 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -85.66 31.66 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.383 0.611 . . . . 0.0 110.261 176.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 88.66 62.0 1.41 Allowed Glycine 0 N--CA 1.44 -1.059 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.028 -177.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . 0.491 ' OD1' ' HA ' ' B' ' 840' ' ' ASP . 20.1 m120 -75.64 -46.88 29.0 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 174.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 13.2 mt -85.45 132.53 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 107.508 -1.294 . . . . 0.0 107.508 167.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.498 HD22 HD11 ' A' ' 660' ' ' ILE . 5.7 mp -79.82 135.12 56.02 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 120.785 0.326 . . . . 0.0 110.687 -173.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 845' ' ' LEU . 83.4 Cg_exo -46.63 136.73 16.01 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.993 3.129 . . . . 0.0 114.052 -175.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 20.4 m -55.34 -38.0 68.18 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.736 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -55.17 -48.38 73.85 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.864 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 32.3 mm -64.47 -38.91 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 121.122 0.487 . . . . 0.0 109.956 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.45 ' SD ' HG12 ' A' ' 660' ' ' ILE . 31.4 mmt -62.14 -42.52 99.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.34 176.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.5 -38.13 89.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.045 173.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -57.6 -47.68 81.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.626 -176.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 2.6 p -65.46 -40.74 89.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.069 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . 0.447 HD23 ' O ' ' B' ' 850' ' ' MET . 3.1 mm? -57.47 -35.87 70.72 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 175.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -63.19 -22.26 66.75 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.641 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -92.84 166.89 12.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.309 0.576 . . . . 0.0 111.164 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 26.7 m -133.55 95.75 17.56 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.541 173.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo . . . . . 0 C--O 1.251 1.143 0 C-N-CA 123.235 2.623 . . . . 0.0 112.516 -179.425 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.738 0 CA-C-O 121.19 0.328 . . . . 0.0 112.297 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 19.2 m -117.9 162.86 15.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-O 120.673 0.273 . . . . 0.0 110.427 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 589' ' ' LYS . 6.4 ppt_? -76.18 -22.68 55.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.98 0.419 . . . . 0.0 110.214 178.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.675 ' HB2' ' CH2' ' A' ' 591' ' ' TRP . 21.5 pttp -87.76 65.89 8.6 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 122.272 1.034 . . . . 0.0 109.854 176.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -90.03 22.27 26.62 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.312 -0.858 . . . . 0.0 113.109 -173.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.675 ' CH2' ' HB2' ' A' ' 589' ' ' LYS . 0.0 OUTLIER -84.51 -58.07 2.88 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 117.614 0.707 . . . . 0.0 110.553 179.352 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . 0.406 ' H ' ' HE3' ' A' ' 591' ' ' TRP . 30.3 m80 -94.68 4.72 53.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.747 -173.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -56.6 -34.21 66.98 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -173.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -74.23 16.67 0.23 Allowed 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.553 HG13 HD23 ' A' ' 599' ' ' LEU . 86.6 t -125.67 131.97 71.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 172.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.492 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.0 t -93.71 154.75 17.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.659 0.266 . . . . 0.0 110.702 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -60.7 -38.0 83.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -55.67 -40.04 71.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.473 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.553 HD23 HG13 ' A' ' 595' ' ' VAL . 19.9 tp -55.92 -47.9 76.65 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.737 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 604' ' ' VAL . 69.5 mtp180 -60.97 -49.7 76.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.943 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 19.1 p -62.62 -38.39 90.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.075 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -55.67 -48.37 75.15 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.116 0.484 . . . . 0.0 110.087 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.425 HD13 ' CD1' ' A' ' 653' ' ' LEU . 39.5 mt -65.05 -37.79 88.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.242 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 600' ' ' ARG . 58.6 t -61.33 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.133 0.492 . . . . 0.0 110.243 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -63.35 -37.33 86.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.61 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -61.38 -40.35 94.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.794 0.331 . . . . 0.0 110.486 175.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.3 tt -64.15 -43.05 96.38 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.495 HG13 HD11 ' A' ' 628' ' ' LEU . 78.4 t -58.16 -46.64 88.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.169 0.509 . . . . 0.0 110.206 172.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -38.7 70.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.985 178.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.47 -39.32 79.61 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.066 178.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 27.5 mt -82.18 -35.65 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -157.89 100.88 1.8 Allowed Pre-proline 0 N--CA 1.452 -0.331 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -173.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -74.39 -31.27 7.45 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 121.965 1.777 . . . . 0.0 113.181 -170.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 11.4 p -85.01 123.29 73.79 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 120.693 0.282 . . . . 0.0 111.494 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -75.88 65.91 6.79 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.756 2.304 . . . . 0.0 110.964 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.451 ' O ' ' HB2' ' A' ' 620' ' ' LEU . 32.0 t70 -61.24 125.18 83.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.88 -178.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.09 -28.89 87.97 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.964 2.442 . . . . 0.0 113.548 -175.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -79.56 -53.36 6.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.015 0.436 . . . . 0.0 110.082 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -58.26 -27.45 64.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.979 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.528 HD22 ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -63.04 -30.93 71.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.933 -179.209 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . 0.413 ' HE2' ' HA ' ' A' ' 621' ' ' LYS . 11.5 mmpt? -95.54 -3.19 47.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.278 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -89.84 136.74 32.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.803 0.335 . . . . 0.0 110.42 -174.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . 0.582 ' NH2' ' HG3' ' A' ' 626' ' ' GLU . 3.6 mmp_? -53.48 -37.83 63.07 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.198 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 624' ' ' ARG . 15.9 ttm180 -60.06 -40.19 88.59 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 111.388 0.144 . . . . 0.0 111.388 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.541 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 42.3 ttm -64.55 -39.6 94.05 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.429 177.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . 0.582 ' HG3' ' NH2' ' A' ' 623' ' ' ARG . 45.4 mm-40 -61.2 -39.29 89.66 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.773 0.32 . . . . 0.0 110.27 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -61.83 -44.55 96.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.817 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 625' ' ' MET . 0.8 OUTLIER -66.1 -38.28 87.83 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.068 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 625' ' ' MET . 96.7 t -65.05 -41.34 91.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.137 0.494 . . . . 0.0 110.234 177.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 634' ' ' LYS . . . -62.95 -39.73 95.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.491 175.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -59.86 -40.47 88.73 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 176.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.52 -49.52 77.09 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.392 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.607 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -57.28 -39.17 75.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.829 174.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 630' ' ' ALA . 9.1 mtpm? -56.88 -49.53 75.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.779 0.323 . . . . 0.0 110.298 176.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.638 ' O ' ' HG2' ' A' ' 639' ' ' MET . 11.6 t -57.01 -51.88 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.625 174.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.1 OUTLIER -58.16 -39.31 78.5 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 121.239 -0.184 . . . . 0.0 111.074 -178.75 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.38 -47.29 88.84 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . 0.411 ' CB ' ' HB2' ' B' ' 841' ' ' ALA . 24.6 t70 -64.09 -40.61 96.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.025 0.441 . . . . 0.0 110.63 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.638 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 25.0 mmt -61.51 -36.26 80.04 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.554 176.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -51.39 -38.21 52.23 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.537 0.523 . . . . 0.0 111.992 -173.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -49.55 65.42 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.406 0.622 . . . . 0.0 110.432 176.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . 0.525 ' C ' ' H ' ' A' ' 644' ' ' ASN . 7.6 t -62.64 -34.32 76.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.155 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.97 23.18 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.522 1.529 . . . . 0.0 114.663 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.525 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.3 t-20 -74.97 -2.69 28.29 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 13.5 m -138.44 131.66 30.12 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -56.29 -47.79 77.94 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.86 0.362 . . . . 0.0 111.398 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.04 -40.63 96.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.915 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.521 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.3 tp10 -63.89 -48.4 76.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.687 -178.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -54.71 -50.0 69.35 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.333 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -65.57 -39.13 91.3 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -66.34 -40.98 90.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.001 0.429 . . . . 0.0 110.677 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 65.6 mt -62.51 -49.82 73.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.167 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.518 ' O ' HG13 ' A' ' 657' ' ' ILE . 10.3 mt -61.05 -42.45 98.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.825 177.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.63 -44.1 76.78 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.301 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -58.01 -46.29 85.49 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.608 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -64.59 -40.05 94.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.09 -176.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 653' ' ' LEU . 55.0 mt -64.11 -40.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . 0.456 ' HA ' HE21 ' A' ' 661' ' ' GLN . 7.4 t80 -63.07 -38.31 90.66 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.503 ' HG2' ' HA ' ' B' ' 844' ' ' ILE . 13.6 tppt? -57.93 -48.0 81.2 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 177.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.564 HG13 HD13 ' B' ' 845' ' ' LEU . 0.5 OUTLIER -59.55 -38.96 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.076 175.121 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 48.0 mt-30 -65.5 -39.71 92.18 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -64.99 -47.9 75.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.655 176.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 18.7 mm-40 -61.19 -49.34 77.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.142 -174.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 80.2 mt -59.43 -45.29 91.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.0 0.428 . . . . 0.0 110.686 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -66.01 -49.73 66.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.951 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -65.74 -40.44 92.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.725 -175.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -65.45 -40.07 92.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.105 -0.372 . . . . 0.0 110.766 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 668' ' ' ARG . 18.1 ttm105 -67.32 -17.56 64.81 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.433 0.635 . . . . 0.0 111.038 -176.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -49.06 -35.84 16.85 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.485 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 1.3 t -96.14 -48.63 5.57 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 119.685 -0.806 . . . . 0.0 111.371 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.36 80.53 0.01 OUTLIER 'General case' 0 C--N 1.346 0.448 0 CA-C-N 118.442 0.564 . . . . 0.0 111.421 169.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' B' ' 854' ' ' LEU . 86.7 mt . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.342 -0.837 . . . . 0.0 111.071 173.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.977 0.417 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . 0.411 ' HB2' ' CB ' ' A' ' 638' ' ' ASP . . . -90.28 -17.77 26.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.079 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 108.11 88.15 1.96 Allowed Glycine 0 N--CA 1.439 -1.108 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.215 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -37.31 87.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.302 0.572 . . . . 0.0 109.545 175.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . 0.503 ' HA ' ' HG2' ' A' ' 659' ' ' LYS . 23.1 mt -123.42 129.17 74.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 170.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.564 HD13 HG13 ' A' ' 660' ' ' ILE . 4.3 mp -79.06 135.27 58.63 Favored Pre-proline 0 N--CA 1.452 -0.326 0 CA-C-O 120.807 0.337 . . . . 0.0 110.975 -174.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . 0.417 ' HB2' HG12 ' B' ' 849' ' ' ILE . 93.4 Cg_exo -44.44 128.87 8.44 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 124.645 3.564 . . . . 0.0 114.523 -174.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.0 p -57.87 -39.24 77.31 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.246 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.04 -46.94 78.72 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.697 -177.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . 0.417 HG12 ' HB2' ' B' ' 846' ' ' PRO . 18.8 mm -64.48 -40.0 87.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.526 ' SD ' HG12 ' A' ' 660' ' ' ILE . 30.9 mmt -62.8 -40.04 96.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.759 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.56 -39.08 82.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.923 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -55.26 -49.85 71.0 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.18 0.3 . . . . 0.0 111.452 -174.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . 0.493 HG13 HD22 ' B' ' 854' ' ' LEU . 11.4 p -66.14 -41.57 89.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . 0.493 HD22 HG13 ' B' ' 853' ' ' VAL . 4.4 mm? -67.18 -42.02 84.92 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.684 0.254 . . . . 0.0 111.684 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -82.43 -33.8 28.43 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -172.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . 0.497 ' O ' ' HD3' ' B' ' 858' ' ' PRO . 3.2 t-20 -93.03 128.66 38.98 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 11.4 m -106.3 97.7 17.08 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.519 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' B' ' 856' ' ' ASN . 7.5 Cg_exo . . . . . 0 C--O 1.251 1.139 0 C-N-CA 123.021 2.48 . . . . 0.0 111.799 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.304 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 27.1 m 46.61 -172.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.309 1.043 . . . . 0.0 113.001 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 589' ' ' LYS . 6.5 ppt_? -62.78 -33.62 75.57 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 122.034 -0.416 . . . . 0.0 112.111 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.416 ' N ' ' HD2' ' A' ' 588' ' ' ARG . 15.1 pttp -49.42 130.11 19.56 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.306 0.574 . . . . 0.0 110.696 175.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 156.56 78.92 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.262 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.54 -69.24 0.59 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.425 0.631 . . . . 0.0 110.185 -176.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -94.71 2.43 55.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.159 -173.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -86.71 -37.66 17.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -170.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -128.4 32.17 4.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.462 0.649 . . . . 0.0 110.26 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.474 HG13 HD23 ' A' ' 599' ' ' LEU . 27.7 t -138.26 132.18 41.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.888 171.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.557 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.3 t -90.14 157.81 17.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.748 0.309 . . . . 0.0 111.127 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.35 -38.45 89.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.816 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -57.65 -40.42 79.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.841 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.557 ' H ' HG23 ' A' ' 596' ' ' THR . 18.2 tp -57.6 -44.68 85.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.174 0.511 . . . . 0.0 110.377 176.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.552 ' HD2' ' OH ' ' A' ' 649' ' ' TYR . 20.3 mmm180 -64.01 -50.52 68.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.129 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 11.1 p -66.1 -39.53 90.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.644 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . 0.454 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 20.6 t60 -55.67 -49.56 72.61 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.135 0.493 . . . . 0.0 110.481 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' A' ' 653' ' ' LEU . 66.8 mt -64.48 -36.43 84.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.582 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 608' ' ' VAL . 53.3 t -61.81 -41.83 92.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.955 0.407 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -63.64 -39.45 94.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.282 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 602' ' ' HIS . 45.1 mtpt -61.9 -40.14 94.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.994 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.35 -42.29 93.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.037 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.512 HG13 HD11 ' A' ' 628' ' ' LEU . 93.0 t -61.03 -46.36 96.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.21 0.528 . . . . 0.0 110.016 175.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -55.6 -39.36 70.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.826 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.498 ' HB1' HG21 ' A' ' 660' ' ' ILE . . . -60.09 -40.26 88.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.516 177.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.435 HG12 HD11 ' A' ' 660' ' ' ILE . 32.9 mt -75.99 -33.97 26.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.632 0.253 . . . . 0.0 110.334 -178.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -156.47 101.03 2.04 Favored Pre-proline 0 N--CA 1.45 -0.474 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 -171.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -77.09 -34.73 2.06 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.903 1.736 . . . . 0.0 113.317 -173.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 40.0 p -77.87 111.07 15.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 6.3 Cg_exo -82.1 69.42 7.52 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.934 2.423 . . . . 0.0 111.54 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 22.3 t70 -64.49 128.79 93.76 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.24 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -57.33 -28.14 78.64 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.196 2.597 . . . . 0.0 113.774 -176.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.43 -49.93 8.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.328 . . . . 0.0 110.12 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.08 -28.1 62.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.513 176.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.445 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -64.42 -30.26 71.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.063 -179.421 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -106.32 16.59 24.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.761 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . 0.634 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 16.8 t0 -93.58 129.47 39.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.916 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -55.62 -36.65 67.21 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.874 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.634 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 17.7 ttp180 -54.04 -40.94 67.54 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 122.195 0.198 . . . . 0.0 111.52 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.513 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 47.9 ttm -63.63 -38.41 91.02 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.409 178.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -56.4 -38.81 72.03 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.637 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . 0.452 HD22 ' N ' ' A' ' 627' ' ' ASN . 0.9 OUTLIER -63.18 -46.09 88.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.168 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.4 pp -65.81 -38.26 88.49 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.233 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 625' ' ' MET . 67.9 t -64.12 -40.28 88.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.147 0.499 . . . . 0.0 110.002 177.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -59.13 -39.03 81.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.358 178.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -58.36 -40.22 81.67 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 121.188 -0.205 . . . . 0.0 110.629 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.96 -44.43 96.77 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.935 0.397 . . . . 0.0 110.264 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.651 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 31.7 mmtp -53.89 -50.59 66.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.875 173.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.525 ' HE2' ' N ' ' A' ' 634' ' ' LYS . 1.2 mpmm? -55.58 -47.3 76.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.564 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.459 ' O ' ' HG2' ' A' ' 639' ' ' MET . 21.7 t -55.53 -49.65 72.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.663 175.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 3.4 pt-20 -56.32 -40.52 74.51 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.607 0.241 . . . . 0.0 110.375 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.84 -50.51 47.05 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.125 -0.559 . . . . 0.0 113.036 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.25 -47.85 82.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 111.074 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.604 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 20.6 mmt -58.95 -36.83 75.47 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.697 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 643' ' ' ALA . 3.8 t80 -50.56 -35.44 29.79 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.866 0.729 . . . . 0.0 112.613 -170.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.56 -50.5 67.01 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.508 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . 0.484 ' C ' ' H ' ' A' ' 644' ' ' ASN . 16.5 m -65.26 -38.35 90.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.163 0.506 . . . . 0.0 111.192 175.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . 0.509 ' HB3' ' HA ' ' A' ' 640' ' ' TYR . . . -59.21 20.76 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.136 1.374 . . . . 0.0 114.492 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.484 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.1 t-20 -75.34 2.84 10.25 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.421 0.629 . . . . 0.0 109.852 -175.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 40.1 m -140.94 139.6 34.32 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.175 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -54.87 -50.6 68.28 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -168.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.2 -42.09 98.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.398 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 9.6 tp10 -62.83 -41.93 99.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.638 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . 0.552 ' OH ' ' HD2' ' A' ' 600' ' ' ARG . 1.9 t80 -55.5 -49.58 72.18 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.636 -176.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -64.29 -37.47 87.6 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 120.799 0.333 . . . . 0.0 111.289 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -65.18 -44.99 86.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.036 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.604 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 61.7 mt -60.04 -50.82 72.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.209 -176.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.516 ' O ' HG13 ' A' ' 657' ' ' ILE . 6.5 mt -64.24 -44.86 90.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.33 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.19 -42.34 81.04 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.854 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 25.1 tt0 -60.12 -41.92 93.66 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.136 179.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -64.0 -40.84 97.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.446 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 653' ' ' LEU . 54.4 mt -64.93 -40.3 88.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.432 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -64.62 -37.75 88.65 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 75.5 mmtt -56.87 -46.13 82.02 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.662 HG13 HD13 ' B' ' 845' ' ' LEU . 0.2 OUTLIER -60.36 -38.89 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.915 176.448 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -65.77 -40.58 92.15 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.114 0.483 . . . . 0.0 109.733 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -65.35 -45.26 84.89 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.668 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 659' ' ' LYS . 24.7 mt-10 -63.04 -39.15 93.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.381 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 82.2 mt -59.2 -39.79 83.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.979 0.419 . . . . 0.0 110.116 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -65.61 -45.37 83.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.523 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . 0.549 ' O ' ' HB2' ' A' ' 669' ' ' ARG . 34.9 mm-40 -64.04 -39.92 95.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.187 -177.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 664' ' ' LEU . 11.6 pttm -55.69 -36.45 67.15 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.301 0.241 . . . . 0.0 111.019 -178.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 671' ' ' ARG . 37.2 ttm180 -69.27 8.97 0.5 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.604 0.716 . . . . 0.0 111.834 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.549 ' HB2' ' O ' ' A' ' 666' ' ' GLU . 2.2 tmt_? -44.76 -36.54 3.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.323 175.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 47.0 t -129.4 -36.65 1.67 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.335 173.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 671' ' ' ARG . 5.4 mmp_? -151.81 156.7 40.74 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-N 117.799 0.272 . . . . 0.0 110.841 -178.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 72.8 mt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 117.995 -1.003 . . . . 0.0 111.871 171.717 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 . . . . . 0 N--CA 1.465 0.278 0 CA-C-O 120.767 0.317 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -119.43 35.0 4.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.229 0.538 . . . . 0.0 109.625 174.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 77.23 95.66 0.2 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.996 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . 0.401 ' OD1' ' HE3' ' A' ' 659' ' ' LYS . 0.7 OUTLIER -58.34 -45.77 87.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.426 0.632 . . . . 0.0 109.675 177.439 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 7.1 mt -95.16 148.28 5.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.174 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.662 HD13 HG13 ' A' ' 660' ' ' ILE . 5.5 mp -81.36 140.09 48.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 120.968 0.413 . . . . 0.0 111.334 -172.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -57.58 144.76 91.7 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 123.333 2.689 . . . . 0.0 112.579 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.3 t -55.55 -37.83 68.5 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.601 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -53.3 -47.67 69.03 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.393 0.433 . . . . 0.0 111.696 -175.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 33.8 mm -66.36 -44.47 90.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.783 0.325 . . . . 0.0 111.143 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.534 ' O ' HD23 ' B' ' 854' ' ' LEU . 33.2 mmt -61.95 -38.8 89.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.23 0.538 . . . . 0.0 110.459 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.33 -36.64 63.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.928 176.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 22.7 m-30 -57.39 -50.84 71.69 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 111.498 0.185 . . . . 0.0 111.498 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . 0.49 HG12 ' O ' ' B' ' 850' ' ' MET . 12.2 p -66.95 -38.79 82.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 120.536 0.208 . . . . 0.0 110.82 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . 0.534 HD23 ' O ' ' B' ' 850' ' ' MET . 3.8 mm? -56.13 -37.12 69.03 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.916 0.389 . . . . 0.0 110.758 174.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -66.9 -13.78 62.07 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.969 0.414 . . . . 0.0 110.719 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -104.17 142.1 35.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.963 0.411 . . . . 0.0 110.589 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 18.1 m -123.26 96.27 44.48 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.086 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo . . . . . 0 C--O 1.248 1.005 0 C-N-CA 123.0 2.467 . . . . 0.0 111.992 -179.897 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.323 0 CA-C-O 120.902 0.168 . . . . 0.0 112.739 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 27.7 m -87.06 -178.63 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 O-C-N 122.737 -0.273 . . . . 0.0 111.356 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.427 ' HD2' ' C ' ' A' ' 588' ' ' ARG . 6.7 ppt_? -66.08 -22.22 66.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.368 -177.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.41 131.57 47.57 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -178.83 78.45 0.06 OUTLIER Glycine 0 N--CA 1.438 -1.213 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.761 -172.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.452 ' HE3' ' H ' ' A' ' 592' ' ' HIS . 0.0 OUTLIER -78.79 -44.3 23.49 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.572 0.701 . . . . 0.0 109.38 177.22 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . 0.452 ' H ' ' HE3' ' A' ' 591' ' ' TRP . 19.7 m80 -80.16 2.96 22.14 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.25 -175.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.87 -35.85 34.9 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -173.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -56.01 -12.26 1.38 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 175.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 43.0 t -137.67 132.68 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.584 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.3 t -90.98 150.77 21.33 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.203 177.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.628 ' HA ' HE21 ' A' ' 597' ' ' GLN . 0.1 OUTLIER -59.02 -38.12 78.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.129 0.49 . . . . 0.0 109.726 179.386 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -57.74 -40.05 78.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.946 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.584 ' H ' HG23 ' A' ' 596' ' ' THR . 21.0 tp -57.74 -52.16 66.58 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.762 0.315 . . . . 0.0 111.007 177.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.406 ' O ' HG23 ' A' ' 604' ' ' VAL . 24.0 mtp180 -64.78 -46.8 80.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.67 -177.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 32.6 p -64.22 -40.31 95.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.909 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -57.49 -43.54 84.21 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.161 0.505 . . . . 0.0 110.272 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 35.1 mt -64.14 -38.24 90.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.874 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 600' ' ' ARG . 74.5 t -64.42 -45.16 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -178.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -63.19 -39.04 93.49 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.87 -40.25 94.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.455 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.84 -43.87 91.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.834 176.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.523 HG13 HD11 ' A' ' 628' ' ' LEU . 66.7 t -55.28 -45.2 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.152 0.501 . . . . 0.0 110.412 172.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . 0.413 ' HG2' ' HA ' ' A' ' 613' ' ' PRO . 1.0 OUTLIER -58.19 -38.72 77.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.539 178.301 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.2 -40.91 91.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.364 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.8 mt -80.5 -32.45 13.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -156.43 93.06 2.47 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -174.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . 0.413 ' HA ' ' HG2' ' A' ' 609' ' ' GLN . 41.5 Cg_endo -74.72 -32.85 5.48 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.078 1.852 . . . . 0.0 113.171 -170.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 13.8 p -73.93 108.49 5.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.317 -177.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 5.6 Cg_exo -80.41 75.58 4.97 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.888 2.392 . . . . 0.0 111.754 -178.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.452 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 15.5 t70 -73.06 124.87 91.15 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.83 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.78 -26.33 65.73 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.316 2.677 . . . . 0.0 113.742 -174.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -88.1 -49.04 7.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 0.0 110.35 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 622' ' ' ASP . . . -57.35 -27.96 62.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.324 175.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.552 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -61.4 -33.26 73.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.411 178.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -96.15 15.37 21.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.145 -177.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . 0.552 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 0.6 OUTLIER -97.29 141.12 30.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.234 0.54 . . . . 0.0 111.115 -173.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -64.08 -38.43 91.05 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.233 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.552 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 56.0 ttp180 -57.28 -43.94 83.59 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.738 0.304 . . . . 0.0 110.678 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.552 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 40.0 ttm -62.64 -38.38 90.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.769 175.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -56.35 -39.26 72.58 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.838 0.352 . . . . 0.0 110.158 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -43.06 99.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.507 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.523 HD11 HG13 ' A' ' 608' ' ' VAL . 0.6 OUTLIER -66.99 -38.82 86.71 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.795 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 625' ' ' MET . 62.5 t -64.68 -40.22 88.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-O 121.148 0.499 . . . . 0.0 110.125 178.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.52 83.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.663 177.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -64.59 -38.61 91.6 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 175.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.89 94.43 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.071 0.462 . . . . 0.0 110.028 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.584 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 25.8 mmtp -59.86 -46.92 87.78 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.579 0.704 . . . . 0.0 111.266 173.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -54.1 -43.74 70.65 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.226 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.514 ' O ' ' HG2' ' A' ' 639' ' ' MET . 20.7 t -60.2 -49.96 82.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.724 176.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 3.9 pt-20 -56.3 -40.02 73.66 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.872 0.367 . . . . 0.0 110.436 -178.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.47 -48.26 70.29 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.744 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.36 -43.26 95.08 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.562 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 25.5 mmt -56.36 -36.67 69.07 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.713 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.497 ' HA ' ' HB3' ' A' ' 643' ' ' ALA . 17.2 t80 -49.23 -35.09 16.5 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.938 0.774 . . . . 0.0 112.919 -173.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.75 -52.24 61.32 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 119.66 -0.816 . . . . 0.0 110.61 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . 0.439 ' C ' ' H ' ' A' ' 644' ' ' ASN . 23.4 t -67.75 -39.66 84.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.094 176.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' ' 640' ' ' TYR . . . -57.73 20.38 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.439 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.3 t-20 -71.04 -1.92 13.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.222 0.534 . . . . 0.0 109.612 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 43.5 m -128.64 138.1 52.0 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.442 174.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -55.88 -49.96 71.95 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.637 0.256 . . . . 0.0 111.628 -176.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.92 -40.17 83.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.938 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 7.7 tp10 -62.09 -46.07 90.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.377 -178.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -55.59 -46.24 77.32 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.242 -175.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -62.7 -38.02 88.77 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 122.649 0.38 . . . . 0.0 111.25 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -66.3 -42.34 88.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.654 -174.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.562 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 46.7 mt -62.62 -50.38 71.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.361 -175.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.485 ' CD1' HD13 ' A' ' 603' ' ' LEU . 10.8 mt -62.34 -42.86 99.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.399 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.81 -44.93 78.32 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.57 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.12 -49.61 76.37 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.812 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -64.98 -41.64 95.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.272 -174.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.09 -40.61 89.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.818 0.342 . . . . 0.0 110.266 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -64.52 -37.39 87.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.319 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.484 ' O ' ' HB3' ' A' ' 662' ' ' LYS . 71.1 mmtt -57.7 -43.59 85.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.103 0.478 . . . . 0.0 110.472 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.539 HG13 HD13 ' B' ' 845' ' ' LEU . 1.0 OUTLIER -64.13 -37.83 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.767 175.694 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -64.12 -38.51 91.33 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 659' ' ' LYS . 21.4 tttm -56.39 -47.11 79.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.132 173.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -61.34 -40.1 93.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.328 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 92.1 mt -64.38 -39.03 93.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.089 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.08 -45.71 84.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.136 0.494 . . . . 0.0 110.353 172.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.36 -43.16 98.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.558 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.501 ' HG2' ' HA ' ' A' ' 664' ' ' LEU . 0.1 OUTLIER -57.0 -35.74 69.57 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -175.393 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -64.29 5.81 0.24 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.63 0.729 . . . . 0.0 111.98 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.473 ' H ' ' C ' ' A' ' 667' ' ' LYS . 42.1 ttm180 -43.68 -35.97 2.01 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.762 -1.108 . . . . 0.0 112.347 173.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 39.9 t -121.05 -42.65 2.48 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 119.94 -0.704 . . . . 0.0 112.524 177.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -156.67 128.64 7.31 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 118.987 0.812 . . . . 0.0 112.271 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 N--CA 1.482 1.13 0 O-C-N 124.871 1.357 . . . . 0.0 113.586 173.714 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 N--CA 1.464 0.232 0 CA-C-O 121.431 0.634 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -83.9 70.87 10.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.14 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 71.04 62.61 3.47 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.699 -175.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . 0.441 ' O ' ' HG3' ' A' ' 659' ' ' LYS . 4.2 m-20 -97.44 21.7 9.81 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.658 -0.771 . . . . 0.0 109.621 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 28.7 mt -101.05 146.93 8.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.367 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.539 HD13 HG13 ' A' ' 660' ' ' ILE . 5.8 mp -79.5 134.33 58.31 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -35.36 129.48 0.28 Allowed 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 125.239 3.959 . . . . 0.0 114.926 -174.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.8 m -55.05 -38.59 68.19 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.855 176.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.45 -46.89 85.66 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.696 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 40.9 mm -65.66 -40.19 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 120.968 0.413 . . . . 0.0 110.388 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.456 ' O ' HD23 ' B' ' 854' ' ' LEU . 2.5 mmt -55.47 -37.63 68.02 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.953 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -53.85 -36.71 62.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.535 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 23.1 m-30 -55.03 -51.94 64.73 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.337 -176.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.78 -40.06 80.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 120.92 0.39 . . . . 0.0 111.188 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 667' ' ' LYS . 3.0 mm? -57.66 -39.08 76.24 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.511 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' B' ' 855' ' ' LYS . 37.4 ttpt -106.96 33.69 3.83 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.496 0.665 . . . . 0.0 110.133 -174.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -136.86 137.9 40.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.543 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 8.5 m -109.72 94.42 16.84 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.043 177.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo . . . . . 0 C--O 1.247 0.969 0 C-N-CA 123.012 2.475 . . . . 0.0 113.166 -175.26 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.512 0 N-CA-C 111.742 -0.543 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 11.7 m -143.95 164.87 14.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -175.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.446 ' O ' ' HD3' ' A' ' 588' ' ' ARG . 0.1 OUTLIER -75.83 11.9 1.24 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.948 0.404 . . . . 0.0 111.928 -175.644 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -129.52 122.32 28.99 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 171.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 96.65 50.84 1.76 Allowed Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 -174.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -64.93 1.07 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.319 0.58 . . . . 0.0 111.48 -174.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -80.79 1.31 31.03 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.963 -167.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -47.18 81.31 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 118.74 0.7 . . . . 0.0 111.804 -172.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -70.21 7.16 1.06 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 178.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 86.4 t -134.89 132.31 53.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 118.371 0.532 . . . . 0.0 110.372 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.569 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.0 t -91.39 152.23 20.5 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 175.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -60.35 -38.69 84.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.347 0.594 . . . . 0.0 109.586 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -56.22 -40.92 74.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.665 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.569 ' H ' HG23 ' A' ' 596' ' ' THR . 17.9 tp -60.3 -48.35 82.1 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.651 177.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -59.01 -50.35 74.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.098 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 44.0 p -65.23 -40.56 94.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.91 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -56.66 -50.57 71.69 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.384 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 653' ' ' LEU . 42.0 mt -66.01 -38.98 89.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.225 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 608' ' ' VAL . 19.8 t -64.59 -45.41 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.856 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -63.99 -39.17 93.51 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.33 -40.08 95.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.286 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.9 tt -61.94 -44.03 97.61 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 604' ' ' VAL . 97.2 t -60.65 -45.05 98.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.459 174.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -58.26 -38.18 76.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.772 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.03 93.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.725 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.498 HG12 HD13 ' A' ' 660' ' ' ILE . 23.0 mt -78.56 -30.41 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.113 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -155.92 101.17 2.14 Favored Pre-proline 0 CA--C 1.531 0.245 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -79.13 -34.02 1.27 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.144 1.896 . . . . 0.0 113.46 -172.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.465 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 23.4 p -69.38 110.56 6.51 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 3.2 Cg_exo -83.92 72.84 5.15 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.213 2.609 . . . . 0.0 111.518 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.606 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 21.2 t70 -77.93 129.1 77.11 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.012 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -55.85 -28.97 70.37 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.514 2.809 . . . . 0.0 113.649 -174.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -92.75 -48.28 6.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.614 0.245 . . . . 0.0 110.557 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.606 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.58 -28.46 63.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.664 178.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.471 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.1 OUTLIER -62.16 -31.84 72.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.196 0.522 . . . . 0.0 110.324 178.095 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -97.64 18.0 16.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.541 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . 0.586 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 5.2 t70 -93.62 129.72 39.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.157 -175.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -58.08 -39.5 78.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.439 -177.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.586 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 28.4 ttp180 -57.7 -46.8 83.88 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.623 177.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.557 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 41.9 ttm -64.44 -39.84 94.59 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.772 175.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 622' ' ' ASP . 39.6 mt-10 -58.08 -38.59 76.66 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-O 120.729 0.3 . . . . 0.0 110.763 -178.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.61 -40.72 97.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.203 178.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 625' ' ' MET . 0.7 OUTLIER -68.42 -38.16 80.96 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.017 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 625' ' ' MET . 84.5 t -64.15 -40.29 88.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-O 121.131 0.491 . . . . 0.0 110.217 178.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.478 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -58.58 -37.79 76.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.506 177.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -59.31 -37.5 77.91 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.296 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.51 94.9 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.206 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.531 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -65.02 -40.84 95.46 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 120.941 0.401 . . . . 0.0 110.509 175.424 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 31.3 mmmt -56.02 -42.88 77.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.966 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 639' ' ' MET . 19.6 t -55.61 -49.79 71.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.678 176.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 3.2 pt-20 -56.87 -39.98 75.33 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.255 -178.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.77 -48.52 71.33 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.775 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -63.71 -43.8 95.5 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.912 0.386 . . . . 0.0 110.963 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.5 mmt -64.26 -36.17 83.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.631 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.407 ' HA ' ' HB3' ' A' ' 643' ' ' ALA . 16.1 t80 -48.17 -36.64 13.98 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.803 0.689 . . . . 0.0 112.595 -173.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -65.5 -49.99 66.95 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.165 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . 0.452 ' C ' ' H ' ' A' ' 644' ' ' ASN . 15.4 m -66.56 -39.34 88.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.449 176.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 640' ' ' TYR . . . -57.44 19.7 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.452 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.1 t-20 -70.81 -5.99 34.46 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 16.5 m -130.77 141.61 50.37 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.66 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -57.13 -50.03 74.07 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.602 0.239 . . . . 0.0 111.544 -177.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.53 -42.28 91.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.549 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.7 tp10 -62.18 -46.14 90.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.621 -177.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -55.88 -49.42 73.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.82 -175.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -66.33 -38.76 88.43 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.283 0.563 . . . . 0.0 110.967 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -43.57 89.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.005 -173.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 70.1 mt -63.18 -50.13 71.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.078 -177.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 603' ' ' LEU . 13.7 mt -62.45 -40.96 98.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.628 -178.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.89 78.79 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.727 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -55.94 -47.12 78.13 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.01 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -63.8 -40.16 95.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.553 -171.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 75.5 mt -60.88 -49.42 84.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.596 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -66.21 -38.69 88.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.038 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 659' ' ' LYS . 71.4 mmtt -60.45 -47.57 85.52 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.171 -178.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.542 HG13 HD13 ' B' ' 845' ' ' LEU . 1.3 mt -63.64 -39.18 84.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.915 177.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -64.58 -38.96 92.82 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.182 0.515 . . . . 0.0 109.961 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -64.32 -43.0 96.03 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.222 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.6 -42.53 95.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.512 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 86.3 mt -58.2 -45.29 87.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.865 0.364 . . . . 0.0 110.087 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.77 -42.7 94.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.757 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -58.43 -44.32 89.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.049 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -64.1 -38.15 90.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 664' ' ' LEU . 95.5 mtt180 -63.41 -7.38 6.48 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -49.03 -35.2 14.98 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.652 171.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 671' ' ' ARG . 68.3 m -102.24 -39.1 7.37 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.647 174.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.538 ' HG2' ' N ' ' A' ' 672' ' ' LEU . 16.5 ttp180 78.24 162.36 0.21 Allowed 'General case' 0 C--N 1.353 0.723 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 167.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . 0.538 ' N ' ' HG2' ' A' ' 671' ' ' ARG . 97.0 mt . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.813 -0.613 . . . . 0.0 109.699 172.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 . . . . . 0 C--O 1.235 0.293 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . 48.98 78.02 0.09 Allowed 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.835 0.709 . . . . 0.0 112.202 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 126.92 140.16 5.14 Favored Glycine 0 N--CA 1.438 -1.186 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.186 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -83.83 -8.68 59.16 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 5.5 mt -96.1 149.01 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.78 0.324 . . . . 0.0 110.497 -177.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.542 HD13 HG13 ' A' ' 660' ' ' ILE . 1.7 mt -93.0 158.19 37.92 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.232 -172.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' B' ' 845' ' ' LEU . 11.1 Cg_endo -53.98 123.02 12.45 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.402 2.735 . . . . 0.0 113.832 -176.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 11.3 p -55.99 -36.51 67.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.355 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -52.77 -49.04 66.34 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.098 -175.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 32.3 mm -64.6 -38.36 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.663 0.268 . . . . 0.0 110.508 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.469 ' O ' HD23 ' B' ' 854' ' ' LEU . 7.6 mmt -56.93 -45.59 82.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.946 0.403 . . . . 0.0 110.786 177.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -65.02 -39.0 92.76 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.679 0.276 . . . . 0.0 111.347 174.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . 0.466 ' CE2' ' HG3' ' A' ' 624' ' ' ARG . 13.3 t80 -61.47 -47.21 86.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 -178.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . 0.411 HG21 HG22 ' A' ' 611' ' ' ILE . 8.3 p -65.82 -38.67 82.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 111.422 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . 0.469 HD23 ' O ' ' B' ' 850' ' ' MET . 2.4 mm? -55.65 -35.74 66.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.645 174.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -84.7 13.31 5.87 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.011 0.434 . . . . 0.0 111.022 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -93.1 130.73 38.63 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 8.5 m -110.57 100.93 47.28 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 120.455 0.169 . . . . 0.0 111.098 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo . . . . . 0 C--O 1.252 1.184 0 C-N-CA 122.442 2.094 . . . . 0.0 111.964 176.677 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.817 0 N-CA-C 112.17 -0.372 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 29.6 m -95.77 149.43 4.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.83 0.348 . . . . 0.0 111.19 -177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -12.82 26.51 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.876 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.592 ' HG3' ' O ' ' A' ' 589' ' ' LYS . 21.1 pttp -94.11 67.57 3.64 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 122.411 1.1 . . . . 0.0 109.602 176.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -122.62 46.21 1.13 Allowed Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.507 -174.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -54.06 4.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.539 0.685 . . . . 0.0 109.779 176.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -95.94 5.02 52.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.651 -172.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 594' ' ' HIS . 8.3 pt-20 -50.3 -39.8 46.7 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -172.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.408 ' N ' ' HG3' ' A' ' 593' ' ' GLU . 5.5 p-80 -77.32 26.34 0.16 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -177.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.468 HG13 HD23 ' A' ' 599' ' ' LEU . 82.0 t -129.14 132.83 66.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 171.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.525 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.7 t -93.49 157.85 16.0 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 121.001 -0.279 . . . . 0.0 111.124 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -61.55 -39.65 91.86 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.53 -39.99 74.3 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.922 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.525 ' H ' HG23 ' A' ' 596' ' ' THR . 18.9 tp -57.68 -51.03 71.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.866 178.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -66.01 -45.38 81.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.604 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . 0.453 ' O ' ' HD2' ' A' ' 605' ' ' HIS . 35.2 p -64.04 -39.86 95.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.974 -176.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -57.59 -43.71 84.84 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.145 0.498 . . . . 0.0 110.123 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 65.7 mt -63.86 -36.23 83.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.515 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.59 -43.85 95.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.961 0.41 . . . . 0.0 110.257 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.453 ' HD2' ' O ' ' A' ' 601' ' ' SER . 61.7 m-70 -60.0 -37.78 80.68 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.537 177.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 603' ' ' LEU . 31.2 mmmt -55.48 -48.55 74.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.545 177.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.2 tt -65.16 -41.62 94.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.418 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.515 HG13 HD11 ' A' ' 628' ' ' LEU . 96.9 t -60.63 -47.49 92.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.923 0.392 . . . . 0.0 110.385 176.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -58.13 -38.35 76.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.54 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.81 84.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.025 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.4 mt -83.88 -33.67 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -157.13 93.59 2.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -173.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -79.42 -36.84 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 121.884 1.723 . . . . 0.0 112.648 -175.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 20.3 p -67.09 117.25 44.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -176.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 6.1 Cg_exo -81.2 61.72 8.24 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.153 2.568 . . . . 0.0 111.806 177.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.459 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 19.3 t70 -63.91 127.61 91.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.153 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.17 -28.33 83.56 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.266 2.644 . . . . 0.0 113.474 -175.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -87.93 -49.92 6.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.828 0.347 . . . . 0.0 110.654 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.459 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -59.89 -28.23 67.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.593 177.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 616' ' ' ASP . 0.2 OUTLIER -64.81 -32.37 74.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.295 0.569 . . . . 0.0 109.74 179.165 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -93.89 11.64 28.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.906 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -89.83 131.89 35.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.067 0.461 . . . . 0.0 110.252 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -61.21 -37.55 83.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.299 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -64.83 -38.17 90.08 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.488 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 0.0 OUTLIER -55.69 -43.74 76.7 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.046 175.112 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.89 -38.14 78.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.852 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -60.51 -40.72 92.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.033 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.515 HD11 HG13 ' A' ' 608' ' ' VAL . 0.7 OUTLIER -66.63 -38.36 86.78 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.335 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.85 -42.97 96.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 121.218 0.533 . . . . 0.0 109.563 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -60.12 -37.99 81.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.633 175.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -60.91 -40.01 91.5 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.62 98.41 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.865 0.364 . . . . 0.0 110.074 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 630' ' ' ALA . 31.5 mmtp -54.47 -50.12 68.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.883 172.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 630' ' ' ALA . 67.7 mttm -55.78 -44.48 77.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.556 176.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.6 ' O ' ' HG2' ' A' ' 639' ' ' MET . 6.4 t -54.84 -47.09 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.805 172.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 633' ' ' LYS . 7.9 tt0 -55.54 -41.47 73.26 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 122.631 0.372 . . . . 0.0 110.77 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.21 -47.91 80.17 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.587 177.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.74 -42.2 97.91 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.991 0.424 . . . . 0.0 110.938 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.6 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.9 mmt -61.67 -37.4 83.96 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.39 178.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -51.26 -38.97 55.62 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 123.594 0.559 . . . . 0.0 111.574 -174.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.44 -50.28 59.97 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.228 0.537 . . . . 0.0 110.636 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 644' ' ' ASN . 4.5 t -64.68 -35.81 82.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.236 -178.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -56.5 22.2 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.518 1.527 . . . . 0.0 114.527 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.517 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.8 t-20 -73.31 -3.77 29.09 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -177.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 43.2 m -135.11 133.67 39.46 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -55.76 -50.09 71.36 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.29 -40.4 96.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.34 -43.7 98.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.62 -49.14 73.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.067 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -64.35 -38.37 90.79 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 111.755 0.279 . . . . 0.0 111.755 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -65.37 -41.1 94.15 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.971 0.415 . . . . 0.0 110.494 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.463 ' O ' ' HD3' ' A' ' 656' ' ' LYS . 39.7 mt -61.95 -52.32 64.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.031 -178.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.47 ' CD1' HD13 ' A' ' 603' ' ' LEU . 9.2 mt -60.69 -44.64 96.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.187 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.11 -42.05 80.12 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.659 178.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -59.82 -50.03 75.4 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.463 ' HD3' ' O ' ' A' ' 652' ' ' LEU . 2.7 mptp? -64.89 -40.02 94.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.858 -175.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.71 -44.72 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.349 . . . . 0.0 110.389 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . 0.517 ' O ' ' HG3' ' A' ' 662' ' ' LYS . 5.8 t80 -64.5 -38.61 91.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.367 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -56.99 -46.38 82.31 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-O 120.743 0.306 . . . . 0.0 110.645 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.486 HG13 HD13 ' B' ' 845' ' ' LEU . 0.8 OUTLIER -61.54 -38.32 79.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.148 176.822 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.34 -40.35 93.56 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.229 0.538 . . . . 0.0 109.746 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 658' ' ' TYR . 7.0 mtpm? -65.12 -40.45 94.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.525 177.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.56 -48.03 82.84 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 93.9 mt -59.26 -40.6 86.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.047 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 669' ' ' ARG . 31.9 tt0 -60.55 -50.66 72.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.421 178.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -60.26 -39.76 87.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.585 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' A' ' 667' ' ' LYS . 19.4 mtpp -61.41 -42.38 98.64 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.05 -178.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -80.69 -24.27 38.99 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.71 0.767 . . . . 0.0 111.178 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 665' ' ' GLU . 5.0 tmm_? -72.08 -35.13 69.16 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.459 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 22.9 t -102.04 8.99 40.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.37 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -41.51 116.24 0.74 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.176 175.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 98.7 mt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.668 -0.682 . . . . 0.0 110.727 -176.632 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 . . . . . 0 C--O 1.232 0.152 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . 50.12 92.81 0.02 OUTLIER 'General case' 0 C--O 1.235 0.294 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 142.01 132.14 2.7 Favored Glycine 0 N--CA 1.436 -1.366 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.536 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -75.1 -4.84 40.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.749 0.309 . . . . 0.0 111.281 -177.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 11.4 mt -92.25 141.66 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.486 HD13 HG13 ' A' ' 660' ' ' ILE . 5.8 mp -81.36 149.22 64.91 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -178.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.22 135.04 52.44 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.574 2.85 . . . . 0.0 114.152 -172.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' B' ' 850' ' ' MET . 19.2 m -59.67 -37.76 79.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.038 177.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.99 -43.42 86.55 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.864 -176.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 19.9 mm -64.42 -39.18 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.444 ' HB2' ' O ' ' B' ' 847' ' ' SER . 32.5 mmt -57.4 -39.08 75.38 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.751 175.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -55.07 -39.86 69.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 110.74 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -64.44 -49.33 71.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.787 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.05 -40.14 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.398 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . 0.439 HD23 ' O ' ' B' ' 850' ' ' MET . 2.9 mm? -60.34 -38.47 83.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.154 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -76.76 -16.72 59.4 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -172.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -122.1 151.17 41.2 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.869 -0.519 . . . . 0.0 111.345 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 40.8 m -152.26 95.11 3.18 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.894 175.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 123.106 2.537 . . . . 0.0 112.547 -178.391 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.461 0 N-CA-C 112.286 -0.325 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 29.1 m -106.62 147.37 12.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 -178.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.446 ' HD2' ' C ' ' A' ' 588' ' ' ARG . 7.2 ppt_? -84.38 -20.4 31.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.412 -178.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -115.27 101.36 8.87 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -159.95 68.72 0.25 Allowed Glycine 0 N--CA 1.434 -1.463 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.783 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.429 ' HE3' ' H ' ' A' ' 592' ' ' HIS . 0.0 OUTLIER -84.36 -56.33 3.69 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.671 0.748 . . . . 0.0 109.638 178.583 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . 0.429 ' H ' ' HE3' ' A' ' 591' ' ' TRP . 29.8 m80 -96.14 4.41 52.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.264 -174.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -54.12 -33.05 56.83 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -173.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -76.96 21.19 0.22 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.51 HG13 HD23 ' A' ' 599' ' ' LEU . 84.6 t -128.07 129.6 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 170.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.575 HG23 ' H ' ' A' ' 599' ' ' LEU . 4.0 t -90.41 160.38 16.08 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.085 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -64.25 -39.78 94.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.966 0.412 . . . . 0.0 110.057 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -56.62 -40.88 76.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.824 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.575 ' H ' HG23 ' A' ' 596' ' ' THR . 15.1 tp -60.0 -44.47 94.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.228 0.537 . . . . 0.0 110.162 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -64.72 -49.7 69.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.791 -175.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 24.8 p -66.09 -41.65 90.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.651 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -61.36 -43.89 98.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.942 -175.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 92.4 mt -61.3 -37.17 82.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.783 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 73.4 t -58.9 -40.38 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.133 0.492 . . . . 0.0 110.379 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.425 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 12.4 m-70 -62.95 -39.22 93.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.393 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -56.81 -44.45 82.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.52 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.91 -44.53 89.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.244 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.452 HG13 HD11 ' A' ' 628' ' ' LEU . 92.4 t -60.15 -48.17 89.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.063 176.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 15.0 mm100 -58.17 -38.52 76.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.993 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.35 -38.93 72.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.033 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.435 ' CG1' HD11 ' A' ' 660' ' ' ILE . 32.4 mt -78.47 -38.98 23.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -157.83 100.8 1.81 Allowed Pre-proline 0 CA--C 1.53 0.174 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -171.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -80.43 -31.49 1.59 Allowed 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 122.212 1.941 . . . . 0.0 113.679 -172.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 13.5 p -83.68 111.77 34.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -175.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -81.15 82.56 2.4 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.061 2.507 . . . . 0.0 112.255 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.443 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 25.0 t70 -70.13 128.56 91.45 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.133 177.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.0 -26.5 75.31 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.183 2.589 . . . . 0.0 113.946 -177.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -89.31 -50.94 5.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 0.0 110.458 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -56.04 -26.69 50.12 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.44 176.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -26.92 69.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.05 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -104.51 16.01 26.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.252 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -99.94 135.45 41.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.155 0.502 . . . . 0.0 110.235 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -56.37 -38.36 71.35 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.698 -174.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -59.88 -41.74 92.23 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.8 0.333 . . . . 0.0 110.75 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.554 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 5.3 tpp -62.83 -40.69 98.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.664 175.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.16 -38.94 92.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.921 -178.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.95 -43.14 91.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.044 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.0 OUTLIER -67.81 -38.39 83.22 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.056 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.454 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 94.6 t -64.81 -43.74 96.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.187 0.517 . . . . 0.0 109.848 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.524 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -59.32 -38.6 80.7 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.233 176.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -57.74 -41.07 81.15 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.506 0.193 . . . . 0.0 110.777 177.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.42 -42.96 95.76 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.936 0.398 . . . . 0.0 110.589 177.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.653 ' O ' ' HG2' ' A' ' 636' ' ' GLU . 37.9 mmtm -52.56 -50.99 61.83 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.026 171.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -55.44 -45.23 76.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.901 175.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 639' ' ' MET . 16.3 t -54.05 -49.61 59.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.697 177.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 633' ' ' LYS . 4.4 pt-20 -56.09 -40.35 73.52 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.572 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.66 -48.2 75.29 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.519 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.62 -45.6 89.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.945 0.403 . . . . 0.0 111.009 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.561 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 19.9 mmt -61.63 -36.24 80.21 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.379 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -49.36 -36.85 22.72 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.809 0.693 . . . . 0.0 112.577 -172.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -66.03 -51.0 62.2 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.39 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 644' ' ' ASN . 15.1 m -64.65 -37.88 89.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.0 178.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -54.88 21.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.485 1.514 . . . . 0.0 114.903 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.502 ' H ' ' C ' ' A' ' 642' ' ' SER . 1.3 t30 -82.74 19.7 1.28 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 70.1 p -155.66 146.76 22.48 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -57.11 -47.8 80.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.799 0.333 . . . . 0.0 111.165 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.51 -46.59 89.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.72 -176.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.2 -45.1 89.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.963 -177.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -49.87 74.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -175.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -64.88 -38.29 90.49 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -64.83 -46.87 80.1 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.881 0.372 . . . . 0.0 110.513 -174.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.561 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 80.7 mt -59.92 -49.26 78.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.546 -177.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.579 ' O ' HG13 ' A' ' 657' ' ' ILE . 5.3 mt -63.68 -44.67 93.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.871 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -58.25 -45.71 87.31 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.627 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 19.1 tt0 -56.35 -44.18 79.83 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.61 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.448 ' HE3' HG22 ' A' ' 635' ' ' VAL . 45.8 mttm -61.01 -40.53 93.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.525 177.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 653' ' ' LEU . 31.2 mt -62.75 -39.87 86.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.946 0.403 . . . . 0.0 109.97 -178.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -64.38 -39.29 93.57 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.274 175.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 74.9 mmtt -59.2 -41.12 87.79 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.161 0.505 . . . . 0.0 110.201 177.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.537 HG12 ' SD ' ' B' ' 850' ' ' MET . 0.2 OUTLIER -56.66 -37.91 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.232 176.35 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 665' ' ' GLU . 75.5 mt-30 -65.15 -41.29 94.89 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -173.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 97.2 mttt -65.54 -45.69 82.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.65 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.667 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 44.1 mm-40 -57.11 -49.4 76.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 94.7 mt -58.95 -44.1 91.38 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.1 -177.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 669' ' ' ARG . 23.9 mm-40 -64.74 -47.0 79.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.269 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 662' ' ' LYS . 72.7 mt-10 -60.45 -40.32 90.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.072 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.667 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 27.6 mmtp -66.23 -41.02 90.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.155 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -77.65 -10.39 59.49 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.459 0.647 . . . . 0.0 111.598 -174.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 665' ' ' GLU . 67.1 mtm180 -57.22 -37.25 71.95 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.237 173.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 95.5 p -105.38 -46.95 4.07 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.186 176.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -61.94 95.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.204 0.526 . . . . 0.0 110.501 171.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 79.5 mt . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.565 -0.731 . . . . 0.0 109.726 178.296 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 CA--C 1.517 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -92.45 44.06 1.15 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.403 0.62 . . . . 0.0 109.775 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 71.72 68.3 1.65 Allowed Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.624 -175.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -92.59 8.83 37.26 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.218 -0.491 . . . . 0.0 110.909 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 51.3 mt -133.63 150.27 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -177.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.521 HD13 HG13 ' A' ' 660' ' ' ILE . 5.3 mp -90.76 134.01 31.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 177.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.26 131.43 43.18 Favored 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 123.034 2.489 . . . . 0.0 112.247 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.7 t -55.31 -38.83 69.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.272 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -55.29 -47.97 74.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.786 -177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 29.8 mm -64.98 -40.45 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.161 0.505 . . . . 0.0 110.463 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.537 ' SD ' HG12 ' A' ' 660' ' ' ILE . 2.6 mmt -61.07 -37.99 84.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.378 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.8 -36.86 65.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.714 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -54.22 -49.68 68.88 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -173.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 3.0 p -64.42 -40.1 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 111.537 -176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . 0.461 ' HG ' ' CB ' ' A' ' 667' ' ' LYS . 4.3 mm? -65.92 -38.93 89.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.761 0.315 . . . . 0.0 110.464 175.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -71.84 -56.69 5.28 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.895 0.379 . . . . 0.0 110.567 -177.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -101.32 128.53 47.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.234 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 9.0 m -146.93 99.64 4.0 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.276 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo . . . . . 0 C--O 1.248 0.98 0 C-N-CA 123.224 2.616 . . . . 0.0 112.262 178.647 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.862 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . 0.508 HG23 ' HD2' ' A' ' 589' ' ' LYS . 35.0 m -79.63 156.16 4.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 173.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.636 ' O ' ' HD2' ' A' ' 588' ' ' ARG . 3.4 ppt_? -91.29 14.32 14.8 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.1 -172.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.508 ' HD2' HG23 ' A' ' 587' ' ' VAL . 0.1 OUTLIER -37.72 124.03 1.06 Allowed 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.991 0.807 . . . . 0.0 111.593 -179.14 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -171.38 74.06 0.1 Allowed Glycine 0 N--CA 1.434 -1.477 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.199 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -64.47 1.03 Allowed 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -93.75 5.2 52.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.777 -174.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.28 -29.64 1.06 Allowed 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -176.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.412 ' CD2' ' H ' ' A' ' 594' ' ' HIS . 1.7 p80 -71.39 6.82 1.59 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.782 0.325 . . . . 0.0 111.853 176.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.484 HG13 HD23 ' A' ' 599' ' ' LEU . 73.6 t -134.79 133.48 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 168.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.611 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.5 t -90.62 153.83 20.03 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.371 175.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -63.56 -39.01 93.3 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -55.6 -38.23 69.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.685 178.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.611 ' H ' HG23 ' A' ' 596' ' ' THR . 16.8 tp -56.21 -49.41 74.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.328 177.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -64.99 -43.97 90.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.543 -178.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 12.0 p -64.42 -38.92 92.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.881 0.372 . . . . 0.0 110.539 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -61.0 -44.16 97.82 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.21 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 55.8 mt -62.49 -37.15 84.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.305 -178.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.58 -44.61 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.93 0.395 . . . . 0.0 110.241 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -64.74 -40.29 95.07 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.02 -40.31 73.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.386 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.41 -50.09 68.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.042 176.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 92.9 t -56.28 -49.02 78.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.504 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.47 -37.52 78.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.792 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -55.62 -39.41 70.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.731 0.3 . . . . 0.0 110.939 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 28.8 mt -83.2 -32.29 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.536 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -156.19 91.34 2.64 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -172.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . 0.453 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 57.9 Cg_endo -81.43 -25.04 4.03 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.301 2.001 . . . . 0.0 113.108 -174.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 23.2 p -86.59 106.58 10.82 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.648 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 6.2 Cg_exo -81.56 82.64 2.32 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.122 2.548 . . . . 0.0 112.024 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.61 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 26.8 t70 -69.23 130.99 90.67 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.72 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.78 -26.65 48.68 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.27 2.647 . . . . 0.0 113.761 -176.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -93.92 -52.36 4.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.702 0.286 . . . . 0.0 110.902 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.61 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.01 -27.18 61.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.341 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.444 ' HA ' ' SD ' ' A' ' 625' ' ' MET . 0.2 OUTLIER -60.44 -26.43 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.459 0.647 . . . . 0.0 109.618 178.086 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -101.53 17.83 21.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.897 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -90.66 133.68 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.123 0.487 . . . . 0.0 110.368 -176.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -55.95 -39.41 71.69 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -63.68 -38.95 93.03 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.43 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.444 ' SD ' ' HA ' ' A' ' 620' ' ' LEU . 43.1 ttm -57.6 -38.74 75.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.002 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.84 -38.78 83.06 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.079 0.466 . . . . 0.0 110.141 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . 0.436 HD22 ' N ' ' A' ' 627' ' ' ASN . 0.9 OUTLIER -62.01 -39.8 93.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.683 177.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -41.82 86.67 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.437 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 69.1 t -65.81 -41.59 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.353 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -60.79 -39.19 87.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.765 176.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -64.9 -38.22 90.24 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 175.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.63 97.24 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.005 0.431 . . . . 0.0 109.851 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.592 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 29.6 mmtp -57.91 -49.92 75.12 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.578 0.704 . . . . 0.0 111.16 173.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -54.78 -46.24 74.4 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.841 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 639' ' ' MET . 8.0 t -56.71 -50.63 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.488 175.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.592 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.5 OUTLIER -58.69 -38.52 78.44 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.501 -178.479 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -62.95 -46.59 93.25 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.379 178.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -63.89 -43.54 95.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.126 0.488 . . . . 0.0 110.341 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.585 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 20.5 mmt -64.16 -38.0 89.49 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.754 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -51.94 -36.89 50.82 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.623 0.577 . . . . 0.0 111.773 -177.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.24 -49.12 68.3 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.548 176.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 644' ' ' ASN . 18.7 m -64.69 -37.16 86.65 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.987 178.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -51.0 20.8 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 116.423 2.009 . . . . 0.0 116.423 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 642' ' ' SER . 0.2 OUTLIER -77.29 17.26 0.5 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 -177.83 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 68.1 m -155.39 135.3 12.84 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -54.59 -49.93 69.23 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.662 0.268 . . . . 0.0 111.557 -176.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.89 -40.18 96.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -176.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -64.6 -46.33 83.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.907 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.11 -49.37 74.05 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -178.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -64.73 -38.89 92.52 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -65.89 -45.35 82.35 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.772 -174.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.405 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 91.7 mt -60.25 -49.87 75.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.122 -178.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.585 ' O ' HG13 ' A' ' 657' ' ' ILE . 11.0 mt -62.81 -46.86 86.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.056 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.02 74.0 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.84 -40.5 95.52 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.392 0.615 . . . . 0.0 109.92 -178.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.477 ' HG2' HD11 ' B' ' 845' ' ' LEU . 13.0 ttpp -61.08 -43.28 99.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.447 178.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 653' ' ' LEU . 87.1 mt -60.55 -44.99 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.654 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . 0.427 ' CD2' ' HE3' ' A' ' 662' ' ' LYS . 3.3 t80 -61.09 -37.1 81.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -55.2 -45.55 75.85 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 110.905 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.424 HG13 HD13 ' B' ' 845' ' ' LEU . 0.4 OUTLIER -64.3 -38.46 82.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.048 177.146 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -65.64 -38.27 88.89 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . 0.427 ' HE3' ' CD2' ' A' ' 658' ' ' TYR . 98.8 mttt -60.56 -43.13 97.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.262 177.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 2.1 mm-40 -59.17 -46.85 87.31 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.418 176.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.36 -45.11 94.66 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.165 0.29 . . . . 0.0 111.003 -178.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -64.55 -49.26 71.93 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.799 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 669' ' ' ARG . 7.1 tp10 -59.4 -49.28 78.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.71 -175.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 0.1 OUTLIER -66.39 -39.48 89.08 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.605 -177.877 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . 0.497 ' HG2' HD11 ' B' ' 854' ' ' LEU . 57.3 mtm180 -75.53 -21.02 58.31 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.842 0.83 . . . . 0.0 110.545 -177.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 666' ' ' GLU . 59.0 ttt180 -67.09 -30.15 70.11 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 114.112 -1.404 . . . . 0.0 110.672 174.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 10.3 t -84.65 9.64 13.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.993 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 22.6 ptt-85 -63.22 161.92 12.87 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.044 0.45 . . . . 0.0 111.269 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 98.3 mt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.621 -0.704 . . . . 0.0 109.62 176.86 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 121.341 0.591 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -90.43 123.06 33.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.405 -175.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 74.14 64.94 2.29 Favored Glycine 0 CA--C 1.505 -0.536 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.722 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -123.54 -69.08 0.83 Allowed 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.13 -0.535 . . . . 0.0 111.381 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 6.8 mt -104.93 145.17 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.477 HD11 ' HG2' ' A' ' 656' ' ' LYS . 5.1 mp -101.88 151.6 38.0 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -178.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.84 130.72 35.41 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.17 2.58 . . . . 0.0 113.355 -176.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' B' ' 850' ' ' MET . 46.8 m -55.74 -36.77 67.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.83 177.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -55.23 -41.14 71.7 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -177.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 16.4 mm -64.58 -38.48 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.614 ' O ' HG12 ' B' ' 853' ' ' VAL . 4.6 mmt -62.22 -38.93 91.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.578 175.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -57.33 -38.97 74.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.669 176.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -61.21 -42.47 98.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.758 -176.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . 0.614 HG12 ' O ' ' B' ' 850' ' ' MET . 11.4 p -65.19 -38.09 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 120.878 0.37 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . 0.497 HD11 ' HG2' ' A' ' 668' ' ' ARG . 3.9 mm? -65.66 -38.64 89.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.592 0.234 . . . . 0.0 110.933 173.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -74.2 -49.25 24.27 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.784 0.326 . . . . 0.0 111.047 -176.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -104.8 126.93 52.37 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . 0.426 ' HA ' ' HD3' ' B' ' 858' ' ' PRO . 54.9 m -148.93 121.09 4.35 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 857' ' ' THR . 24.5 Cg_exo . . . . . 0 C--O 1.251 1.162 0 C-N-CA 122.94 2.427 . . . . 0.0 112.121 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.577 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 15.4 m -144.24 163.1 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -174.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.467 ' O ' ' HD2' ' A' ' 588' ' ' ARG . 5.9 ppt_? -72.89 14.24 0.3 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -176.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -131.5 121.05 23.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.703 0.287 . . . . 0.0 110.356 175.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 83.88 53.87 3.22 Favored Glycine 0 C--N 1.333 0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.439 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.54 -51.56 5.84 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.524 0.678 . . . . 0.0 111.273 -172.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -96.73 4.28 51.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.753 -169.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.436 ' C ' ' H ' ' A' ' 595' ' ' VAL . 15.1 pt-20 -60.1 -25.99 65.86 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -172.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -75.73 24.15 0.12 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.187 0.518 . . . . 0.0 111.571 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.496 HG13 HD23 ' A' ' 599' ' ' LEU . 61.0 t -138.0 133.97 44.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 173.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.596 HG23 ' H ' ' A' ' 599' ' ' LEU . 4.0 t -92.07 156.42 17.4 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.27 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -63.9 -38.75 92.22 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -55.8 -39.47 71.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.753 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.605 ' O ' ' HG ' ' A' ' 603' ' ' LEU . 19.8 tp -56.28 -49.97 72.74 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.719 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -64.91 -44.12 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.604 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 17.7 p -64.88 -39.16 93.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.936 0.398 . . . . 0.0 110.198 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -56.28 -47.83 77.84 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.331 175.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 599' ' ' LEU . 37.7 mt -62.22 -38.53 89.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.147 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 608' ' ' VAL . 53.0 t -64.28 -49.69 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.333 . . . . 0.0 110.535 -178.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -65.38 -40.0 92.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.949 0.404 . . . . 0.0 110.316 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -61.64 -39.54 91.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.482 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.88 -44.94 91.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.79 176.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.572 HG13 HD11 ' A' ' 628' ' ' LEU . 94.7 t -55.76 -45.81 79.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 121.029 0.443 . . . . 0.0 110.783 173.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -55.73 -39.91 71.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.209 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.64 92.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.48 178.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 34.2 mt -78.14 -27.7 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.511 -177.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -148.13 89.78 5.16 Favored Pre-proline 0 C--N 1.328 -0.363 0 C-N-CA 121.236 -0.185 . . . . 0.0 110.578 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -77.22 -36.84 1.21 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 121.733 1.622 . . . . 0.0 112.605 -176.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.494 ' HA ' ' HD3' ' A' ' 615' ' ' PRO . 35.3 p -64.91 126.04 90.29 Favored Pre-proline 0 C--O 1.235 0.325 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 614' ' ' THR . 6.0 Cg_exo -81.67 76.12 4.51 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.999 2.466 . . . . 0.0 111.352 174.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 21.0 m-20 -86.01 113.74 53.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.951 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 10.7 Cg_endo -54.06 -32.94 71.38 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 123.108 2.538 . . . . 0.0 113.278 -176.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -71.27 -50.95 27.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.506 178.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.417 ' HB2' ' HB3' ' B' ' 858' ' ' PRO . . . -59.14 -32.49 69.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.878 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -36.69 74.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.144 0.497 . . . . 0.0 110.226 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -103.23 16.43 26.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.985 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -99.37 131.94 45.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.905 0.383 . . . . 0.0 110.1 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -54.96 -34.76 63.58 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.943 177.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.498 ' HB2' ' CE2' ' B' ' 852' ' ' PHE . 10.3 ptt180 -53.15 -38.53 62.81 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 121.214 -0.194 . . . . 0.0 110.888 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.533 ' O ' HG23 ' A' ' 629' ' ' VAL . 38.7 ttm -62.07 -38.34 88.43 Favored 'General case' 0 CA--C 1.527 0.085 0 CA-C-O 120.626 0.25 . . . . 0.0 110.736 178.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -58.04 -39.34 78.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.406 -177.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . 0.457 HD22 ' N ' ' A' ' 627' ' ' ASN . 0.9 OUTLIER -61.83 -48.69 79.46 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.084 -179.586 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.572 HD11 HG13 ' A' ' 608' ' ' VAL . 1.1 pp -66.15 -36.78 84.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.143 -178.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 625' ' ' MET . 81.8 t -63.62 -40.62 89.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.061 0.458 . . . . 0.0 110.068 176.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -58.24 -38.72 77.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.259 177.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -60.19 -39.3 86.02 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.6 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.94 99.03 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.936 0.398 . . . . 0.0 110.349 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 30.0 mmtp -54.44 -49.57 69.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.953 173.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 75.8 mmtt -55.25 -47.89 74.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.338 176.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.638 ' O ' ' HG2' ' A' ' 639' ' ' MET . 16.8 t -55.86 -51.34 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.648 176.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.6 OUTLIER -60.16 -39.34 86.08 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.544 -178.085 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -61.84 -45.25 96.59 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.597 177.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -64.18 -44.98 90.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.053 0.454 . . . . 0.0 110.901 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.638 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 21.9 mmt -63.92 -36.01 82.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.521 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -49.67 -38.16 31.59 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.16 -173.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.47 -50.68 62.49 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 120.304 -0.559 . . . . 0.0 110.884 177.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 644' ' ' ASN . 9.3 m -64.3 -36.96 85.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.214 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.91 21.21 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.782 1.633 . . . . 0.0 115.318 178.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.482 ' H ' ' C ' ' A' ' 642' ' ' SER . 4.2 t-20 -70.18 -9.87 57.08 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 25.6 m -132.34 142.57 49.38 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -55.5 -50.53 69.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.718 0.294 . . . . 0.0 111.606 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -62.39 -40.93 98.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.987 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.26 -47.14 86.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.812 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.85 -49.99 73.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.205 -175.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -64.21 -37.99 89.46 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 120.713 0.292 . . . . 0.0 111.654 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -64.3 -49.06 73.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.909 -174.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.589 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 75.8 mt -61.39 -50.31 73.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.132 -176.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.472 ' CD1' HD13 ' A' ' 603' ' ' LEU . 9.1 mt -61.75 -44.51 96.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.122 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -56.52 -47.25 79.74 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.662 -178.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 17.4 tt0 -59.71 -47.79 84.25 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.644 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 652' ' ' LEU . 30.1 mmmt -63.63 -41.08 98.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.584 -176.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.533 ' O ' ' HG3' ' A' ' 661' ' ' GLN . 75.6 mt -62.31 -43.83 98.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -64.54 -39.05 93.04 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.751 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 74.5 mmtt -60.81 -45.14 95.59 Favored 'General case' 0 C--O 1.23 0.078 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.607 -177.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.641 HG13 HD13 ' B' ' 845' ' ' LEU . 1.4 mt -63.86 -38.13 81.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.899 177.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' A' ' 657' ' ' ILE . 40.2 mt-30 -65.36 -39.53 92.46 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -63.23 -40.13 96.58 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.089 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.604 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 23.6 mm-40 -61.12 -42.54 98.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.193 177.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 83.5 mt -56.49 -45.36 81.04 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 110.647 179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.27 -39.37 93.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.052 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.99 -38.21 87.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.832 178.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 27.4 mmmt -60.87 -41.52 96.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.257 0.551 . . . . 0.0 109.553 175.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . 0.465 ' HA ' ' H ' ' A' ' 672' ' ' LEU . 27.7 tpt180 -68.08 -24.43 65.05 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.632 0.729 . . . . 0.0 111.367 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -52.08 -35.41 47.54 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 113.841 -1.527 . . . . 0.0 112.806 -176.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . 0.563 ' O ' ' HB2' ' A' ' 671' ' ' ARG . 1.2 t -100.78 -48.97 4.3 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 119.659 -0.816 . . . . 0.0 111.474 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 670' ' ' SER . 25.4 tpt180 170.86 68.91 0.0 OUTLIER 'General case' 0 C--N 1.348 0.542 0 CA-C-N 118.225 0.466 . . . . 0.0 110.328 168.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . 0.465 ' H ' ' HA ' ' A' ' 668' ' ' ARG . 95.9 mt . . . . . 0 C--O 1.242 0.698 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.843 175.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 121.044 0.45 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -80.2 -0.63 37.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.462 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 99.15 136.59 9.42 Favored Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.185 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -61.68 -38.86 89.35 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 15.1 mt -73.61 137.16 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.033 177.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.641 HD13 HG13 ' A' ' 660' ' ' ILE . 3.7 mp -95.11 154.3 39.6 Favored Pre-proline 0 C--N 1.328 -0.354 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -176.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -47.33 118.79 3.09 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.917 3.078 . . . . 0.0 113.944 -176.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' B' ' 850' ' ' MET . 22.3 t -55.66 -35.33 65.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.386 177.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -53.63 -39.92 65.39 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -174.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 26.7 mm -64.38 -39.21 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.451 ' HB2' ' O ' ' B' ' 847' ' ' SER . 0.0 OUTLIER -60.88 -41.45 96.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.115 174.475 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -59.1 -40.73 86.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.578 174.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . 0.498 ' CE2' ' HB2' ' A' ' 624' ' ' ARG . 14.1 t80 -64.62 -48.1 76.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 -176.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.65 -46.26 89.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.463 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.41 -40.22 93.1 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -75.55 -27.98 58.86 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -170.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -93.88 128.05 39.97 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.768 -177.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 19.5 m -89.93 120.99 69.32 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.502 178.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . 0.424 ' HB3' HH21 ' A' ' 624' ' ' ARG . 74.7 Cg_endo . . . . . 0 C--O 1.249 1.055 0 C-N-CA 122.805 2.337 . . . . 0.0 112.658 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.784 0 N-CA-C 112.651 -0.179 . . . . 0.0 112.651 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 34.4 m -109.84 155.35 11.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.898 0.38 . . . . 0.0 111.208 -175.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.448 ' HD2' ' C ' ' A' ' 588' ' ' ARG . 4.9 ppt_? -109.71 3.19 20.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.45 0.643 . . . . 0.0 109.996 178.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -107.9 130.26 55.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.765 176.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . 0.759 ' O ' ' HG2' ' A' ' 593' ' ' GLU . . . -179.21 69.84 0.07 OUTLIER Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 110.644 -0.983 . . . . 0.0 110.644 -174.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.525 ' HA ' ' NE2' ' A' ' 594' ' ' HIS . 5.2 m0 -57.79 -39.57 77.84 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -172.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -66.16 -20.0 66.01 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.759 ' HG2' ' O ' ' A' ' 590' ' ' GLY . 7.7 pt-20 -78.78 -22.53 46.23 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.342 -176.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.525 ' NE2' ' HA ' ' A' ' 591' ' ' TRP . 13.5 p80 -115.09 40.62 2.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.038 0.446 . . . . 0.0 111.993 -178.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.455 HG13 HD23 ' A' ' 599' ' ' LEU . 46.0 t -130.03 129.23 65.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 167.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 599' ' ' LEU . 2.8 t -96.54 163.53 12.99 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.56 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -62.99 -39.63 95.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.175 0.512 . . . . 0.0 109.877 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -58.16 -38.85 77.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.834 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.554 ' H ' HG23 ' A' ' 596' ' ' THR . 17.4 tp -55.46 -49.82 71.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.841 0.353 . . . . 0.0 110.447 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.425 ' HG2' ' OH ' ' A' ' 649' ' ' TYR . 38.1 mtm180 -65.12 -47.15 78.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.973 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . 0.407 ' O ' ' HD2' ' A' ' 605' ' ' HIS . 21.0 p -65.0 -39.68 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.463 0.173 . . . . 0.0 111.216 -176.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -55.64 -43.98 76.73 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.157 0.503 . . . . 0.0 110.251 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.457 HD13 ' CD1' ' A' ' 653' ' ' LEU . 46.7 mt -64.23 -36.42 84.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.147 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.18 -43.9 94.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.96 0.41 . . . . 0.0 110.269 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.407 ' HD2' ' O ' ' A' ' 601' ' ' SER . 71.8 m-70 -62.19 -38.78 90.41 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.534 178.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -60.08 -40.5 89.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.684 0.278 . . . . 0.0 110.809 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.76 -45.26 87.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.891 178.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.533 HG13 HD11 ' A' ' 628' ' ' LEU . 99.1 t -58.6 -46.88 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.22 0.534 . . . . 0.0 110.606 175.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -55.45 -40.68 71.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.946 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.21 95.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.605 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 39.8 mt -78.61 -33.46 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.786 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -154.43 102.81 2.38 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.767 -172.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -81.86 -38.19 0.22 Allowed 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 122.161 1.907 . . . . 0.0 113.139 -175.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 22.9 p -73.11 111.39 11.38 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -81.2 68.73 8.15 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.078 2.519 . . . . 0.0 111.345 176.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 13.5 t70 -69.56 129.02 91.83 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.949 -178.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -56.15 -26.28 59.52 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.137 2.558 . . . . 0.0 113.715 -176.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -85.91 -47.61 9.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.401 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -59.04 -30.88 68.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.47 176.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -31.28 72.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.178 0.513 . . . . 0.0 109.699 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -97.55 15.14 24.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.687 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -99.87 133.54 44.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 -176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . 0.429 ' HD3' ' OE1' ' A' ' 626' ' ' GLU . 34.4 mmt180 -56.68 -37.68 71.2 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.954 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -64.6 -38.84 92.38 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.637 -174.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.424 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 40.6 ttm -57.09 -39.41 74.96 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.923 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . 0.429 ' OE1' ' HD3' ' A' ' 623' ' ' ARG . 48.4 mt-10 -61.34 -38.38 86.69 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.631 0.253 . . . . 0.0 110.631 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . 0.467 HD22 ' N ' ' A' ' 627' ' ' ASN . 0.9 OUTLIER -60.06 -42.49 94.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 -179.189 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.533 HD11 HG13 ' A' ' 608' ' ' VAL . 0.7 OUTLIER -67.44 -38.88 85.21 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 625' ' ' MET . 78.4 t -65.52 -45.44 92.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.296 0.569 . . . . 0.0 109.785 178.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 633' ' ' LYS . . . -60.47 -37.63 81.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.705 176.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -62.02 -39.17 91.37 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.71 99.35 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.779 0.323 . . . . 0.0 110.185 176.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.694 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 30.2 mmtp -55.24 -49.42 72.07 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.488 0.661 . . . . 0.0 111.605 172.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -54.79 -45.02 74.25 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.286 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.488 ' O ' ' HG2' ' A' ' 639' ' ' MET . 9.2 t -56.62 -51.45 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.124 175.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.694 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 1.5 pp20? -56.42 -39.69 73.47 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 120.617 0.246 . . . . 0.0 110.922 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.42 -48.49 73.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.386 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.45 -42.34 96.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 111.056 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 24.2 mmt -57.77 -39.19 76.86 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.298 177.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -51.57 -37.05 47.96 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.7 0.625 . . . . 0.0 111.773 -173.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.53 -50.27 63.76 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.798 178.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . 0.515 ' C ' ' H ' ' A' ' 644' ' ' ASN . 2.9 t -66.03 -37.68 86.49 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.893 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 645' ' ' SER . . . -55.84 21.61 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.813 1.645 . . . . 0.0 114.82 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.515 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.8 t30 -79.41 23.23 0.4 Allowed 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.623 0.725 . . . . 0.0 109.677 -175.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . 0.409 ' H ' ' C ' ' A' ' 643' ' ' ALA . 70.4 m -159.92 134.89 7.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -54.76 -51.08 66.8 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -171.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -63.46 -40.97 98.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.296 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.601 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 43.9 tt0 -59.34 -46.5 88.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.398 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . 0.425 ' OH ' ' HG2' ' A' ' 600' ' ' ARG . 2.6 t80 -55.9 -49.69 72.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.245 -177.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -65.41 -38.79 90.99 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -65.33 -42.69 92.65 Favored 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.552 -177.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 83.1 mt -60.3 -49.45 77.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.869 -175.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.457 ' CD1' HD13 ' A' ' 603' ' ' LEU . 8.0 mt -64.68 -48.93 72.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.212 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.86 96.31 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.767 0.318 . . . . 0.0 111.758 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 25.3 tt0 -63.75 -42.01 97.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.152 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.571 ' CG ' HD11 ' B' ' 845' ' ' LEU . 23.3 ttmm -60.87 -44.33 97.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 177.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 653' ' ' LEU . 79.0 mt -64.07 -42.49 95.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -61.6 -37.99 85.96 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 75.0 mmtt -59.22 -47.52 85.05 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.765 0.317 . . . . 0.0 110.292 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.578 HG12 ' SD ' ' B' ' 850' ' ' MET . 0.2 OUTLIER -61.74 -37.52 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.737 177.694 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -65.0 -42.36 94.57 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -65.91 -40.59 91.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.835 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.666 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 70.8 mm-40 -62.45 -43.52 98.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.126 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 85.2 mt -61.27 -49.03 78.73 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.166 0.291 . . . . 0.0 111.2 -178.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.27 -38.99 91.99 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.32 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -56.58 -41.48 77.03 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.014 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.666 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 40.1 mmtm -64.46 -42.21 96.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.51 -178.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -75.92 -21.02 57.52 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.99 0.9 . . . . 0.0 110.759 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -74.85 -32.41 61.89 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.147 -1.388 . . . . 0.0 110.175 175.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 12.8 m -95.81 -1.53 49.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.041 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 671' ' ' ARG . 6.5 ttp180 -58.23 153.78 14.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.363 177.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 C--O 1.246 0.895 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.221 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 CA--C 1.519 -0.214 0 CA-C-O 120.881 0.372 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . 68.27 -27.8 0.14 Allowed 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 177.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 72.95 94.17 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.745 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.25 -60.09 4.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.892 0.377 . . . . 0.0 111.757 -177.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 6.2 mt -106.24 145.64 13.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.544 -173.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.571 HD11 ' CG ' ' A' ' 656' ' ' LYS . 6.3 mp -94.08 157.02 38.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.687 -177.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.62 135.57 56.21 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.411 2.74 . . . . 0.0 112.889 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 32.5 t -55.43 -37.33 67.53 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.073 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.28 -47.58 69.04 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -172.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 22.3 mm -65.23 -39.86 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.048 0.452 . . . . 0.0 110.071 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.578 ' SD ' HG12 ' A' ' 660' ' ' ILE . 10.8 mmt -64.05 -41.26 97.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.603 177.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -61.08 -39.05 88.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.605 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -57.06 -48.41 78.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.498 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . 0.48 HG12 ' O ' ' B' ' 850' ' ' MET . 11.7 p -64.47 -39.45 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.947 -178.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . 0.423 HD22 HG13 ' B' ' 853' ' ' VAL . 3.9 mm? -64.63 -40.73 95.99 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.652 0.263 . . . . 0.0 110.71 175.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -29.0 61.06 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.549 -177.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -92.51 132.42 36.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.999 0.428 . . . . 0.0 110.735 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 8.2 m -123.24 85.92 51.65 Favored Pre-proline 0 N--CA 1.449 -0.501 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.024 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo . . . . . 0 C--O 1.25 1.097 0 C-N-CA 123.012 2.475 . . . . 0.0 112.123 -178.492 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 113.501 0.16 . . . . 0.0 113.501 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 34.9 m -81.23 154.81 4.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 120.823 0.344 . . . . 0.0 111.414 -174.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.405 ' HD2' ' N ' ' A' ' 589' ' ' LYS . 0.0 OUTLIER -97.86 -19.09 18.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.532 0.682 . . . . 0.0 109.927 174.756 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.405 ' N ' ' HD2' ' A' ' 588' ' ' ARG . 28.5 ttmt -111.78 101.42 9.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.301 173.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -157.08 67.28 0.29 Allowed Glycine 0 N--CA 1.434 -1.473 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.498 -177.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.52 ' HE3' ' H ' ' A' ' 592' ' ' HIS . 0.0 OUTLIER -78.18 -62.93 1.52 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.556 0.694 . . . . 0.0 110.225 179.39 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . 0.52 ' H ' ' HE3' ' A' ' 591' ' ' TRP . 25.7 m80 -83.01 -1.03 51.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.047 -0.978 . . . . 0.0 112.69 -170.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -51.55 -38.72 55.64 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -174.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -64.83 -4.41 4.38 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.447 HG13 HD23 ' A' ' 599' ' ' LEU . 54.9 t -139.14 131.69 37.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 118.336 0.516 . . . . 0.0 110.204 174.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 599' ' ' LEU . 4.9 t -95.48 159.4 15.01 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.626 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -62.34 -39.74 94.1 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.066 0.46 . . . . 0.0 110.213 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -57.25 -40.53 77.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.851 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.554 ' H ' HG23 ' A' ' 596' ' ' THR . 21.0 tp -56.02 -50.31 71.26 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.845 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.505 ' HD3' ' OE1' ' A' ' 636' ' ' GLU . 66.5 mtt-85 -59.14 -50.53 73.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.113 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 37.4 m -64.42 -33.94 77.04 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -65.64 -49.08 69.97 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-O 121.251 0.548 . . . . 0.0 109.761 -174.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.479 HD13 ' CD1' ' A' ' 653' ' ' LEU . 35.9 mt -61.61 -39.01 89.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.439 -179.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 600' ' ' ARG . 53.0 t -59.22 -41.53 84.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 111.021 179.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -63.72 -38.03 89.56 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.612 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.3 -40.68 97.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.684 0.278 . . . . 0.0 110.744 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.11 -49.2 70.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.116 176.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 80.9 t -55.49 -43.49 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.082 174.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -56.6 -40.25 74.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.057 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.53 87.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.479 ' O ' HG21 ' B' ' 853' ' ' VAL . 24.3 mt -79.47 -37.53 18.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.745 -178.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -143.15 92.24 6.83 Favored Pre-proline 0 N--CA 1.451 -0.398 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -170.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -76.8 -35.58 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 121.947 1.765 . . . . 0.0 112.726 -174.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 23.1 p -63.61 111.01 4.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -176.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -82.2 73.18 5.78 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.101 2.534 . . . . 0.0 111.57 177.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 15.6 t70 -88.7 127.46 56.18 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.939 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -57.1 -32.15 92.44 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.357 2.705 . . . . 0.0 113.636 -175.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -84.61 -44.29 13.64 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -56.61 -29.9 62.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.305 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -30.02 71.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.088 0.47 . . . . 0.0 110.378 177.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -103.29 18.38 21.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.2 0.524 . . . . 0.0 110.481 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . 0.57 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 4.0 t70 -95.91 133.78 39.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.397 -173.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . 0.412 ' NH1' ' HG2' ' A' ' 626' ' ' GLU . 27.3 mmm180 -61.04 -39.31 89.34 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.083 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.583 ' HG3' ' CE2' ' B' ' 852' ' ' PHE . 20.4 ttp180 -55.08 -48.31 73.71 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 122.382 0.273 . . . . 0.0 110.727 175.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.555 ' O ' HG23 ' A' ' 629' ' ' VAL . 39.8 ttm -64.21 -40.44 96.08 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.052 175.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . 0.412 ' HG2' ' NH1' ' A' ' 623' ' ' ARG . 8.0 tp10 -60.74 -40.25 91.72 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -174.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -64.15 -41.73 97.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.566 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 625' ' ' MET . 1.0 OUTLIER -67.31 -38.76 85.47 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.086 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 625' ' ' MET . 88.4 t -64.57 -39.88 87.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.171 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -55.96 -39.19 71.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.402 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -65.05 -36.93 85.93 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.546 ' O ' ' HB ' ' A' ' 635' ' ' VAL . . . -59.13 -37.64 77.74 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.169 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.563 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 0.0 OUTLIER -63.73 -40.8 97.63 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.853 176.265 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -57.86 -38.04 75.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.818 0.342 . . . . 0.0 110.16 176.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.592 ' O ' ' HG2' ' A' ' 639' ' ' MET . 5.4 t -54.32 -49.62 62.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.977 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.563 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.0 OUTLIER -56.0 -38.57 70.66 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 178.363 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.57 -48.69 75.49 Favored Glycine 0 C--O 1.227 -0.288 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.641 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.71 -42.85 97.88 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.688 0.28 . . . . 0.0 111.664 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 19.7 mmt -59.62 -36.94 77.33 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.276 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -48.47 -37.62 17.84 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.728 -1.124 . . . . 0.0 113.121 -170.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -65.35 -53.16 47.61 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.051 0.841 . . . . 0.0 110.765 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . 0.464 ' C ' ' H ' ' A' ' 644' ' ' ASN . 69.8 m -66.95 -39.11 87.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.676 177.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -58.83 20.02 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.464 ' H ' ' C ' ' A' ' 642' ' ' SER . 3.3 t-20 -68.97 0.69 4.17 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.928 0.394 . . . . 0.0 110.519 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 45.1 p -137.42 150.46 47.66 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -57.78 -50.35 73.54 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.622 0.231 . . . . 0.0 111.622 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.47 -42.56 96.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.432 -175.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.499 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 5.6 tp10 -59.64 -41.89 91.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.612 -178.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -47.72 80.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.059 -175.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -64.16 -39.54 94.24 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.059 0.457 . . . . 0.0 110.88 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -65.52 -46.87 77.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.324 -172.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 39.8 mt -59.35 -49.94 75.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.307 -178.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.479 ' CD1' HD13 ' A' ' 603' ' ' LEU . 10.6 mt -60.88 -46.85 88.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.926 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.89 84.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.744 0.307 . . . . 0.0 111.613 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -63.37 -49.02 75.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.577 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.506 ' HG2' HD11 ' B' ' 845' ' ' LEU . 31.3 ttmt -65.55 -40.21 92.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.457 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 653' ' ' LEU . 78.5 mt -64.44 -40.48 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.641 0.258 . . . . 0.0 110.831 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -61.9 -37.17 83.64 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 656' ' ' LYS . 72.8 mmtt -55.7 -45.13 77.91 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-O 120.873 0.368 . . . . 0.0 110.41 177.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.609 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 0.1 OUTLIER -59.0 -38.34 73.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.034 177.692 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -65.78 -38.47 89.1 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.993 0.425 . . . . 0.0 110.06 -176.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -65.17 -46.99 78.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.451 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 21.5 mm-40 -65.2 -44.72 87.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.586 -177.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 89.7 mt -58.89 -44.95 91.3 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.735 0.302 . . . . 0.0 110.285 178.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -60.21 -42.37 94.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.302 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.92 -51.07 68.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.295 -177.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 663' ' ' GLU . 0.2 OUTLIER -68.63 -40.03 80.5 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 -178.662 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . 0.404 ' HA ' ' HB2' ' A' ' 671' ' ' ARG . 39.8 ptt180 -69.9 -6.75 34.93 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.408 0.623 . . . . 0.0 111.65 -173.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -49.04 -35.37 15.53 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.572 -1.195 . . . . 0.0 110.845 170.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 92.2 p -113.35 -50.21 2.87 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.445 176.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.404 ' HB2' ' HA ' ' A' ' 668' ' ' ARG . 58.1 ttt180 50.83 64.95 1.62 Allowed 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.482 0.489 . . . . 0.0 110.775 173.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.233 -177.79 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 . . . . . 0 N--CA 1.466 0.363 0 CA-C-O 121.13 0.491 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -90.99 56.39 3.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.31 0.576 . . . . 0.0 109.619 176.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 102.29 107.04 3.05 Favored Glycine 0 N--CA 1.439 -1.113 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -173.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.89 53.88 1.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.191 0.52 . . . . 0.0 111.355 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 17.2 mt -108.08 146.63 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.286 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.506 HD11 ' HG2' ' A' ' 656' ' ' LYS . 5.7 mp -79.63 140.15 55.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.28 129.91 10.86 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.831 3.021 . . . . 0.0 113.494 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 36.9 p -54.35 -36.83 64.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.982 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -54.62 -47.98 72.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.785 -178.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 28.0 mm -65.67 -40.85 89.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.038 0.447 . . . . 0.0 110.462 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.413 ' HB3' ' HE3' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -64.19 -42.61 96.6 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.601 177.463 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.06 -40.25 95.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.721 174.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . 0.583 ' CE2' ' HG3' ' A' ' 624' ' ' ARG . 4.2 t80 -57.15 -48.73 77.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.445 -176.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 611' ' ' ILE . 3.3 p -65.61 -42.9 93.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.583 179.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.59 -38.53 91.32 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.564 0.221 . . . . 0.0 110.82 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . 0.454 ' HA ' ' HE3' ' B' ' 855' ' ' LYS . 2.2 tpmt? -64.3 -23.13 67.19 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.06 0.457 . . . . 0.0 110.58 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -106.64 161.7 14.4 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.191 0.52 . . . . 0.0 111.149 -176.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 86.2 m -147.36 117.91 4.49 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.789 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo . . . . . 0 C--O 1.249 1.069 0 C-N-CA 122.808 2.339 . . . . 0.0 112.49 -178.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.746 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . 0.499 HG23 ' HD2' ' A' ' 589' ' ' LYS . 34.1 m -99.08 158.62 3.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 120.835 0.35 . . . . 0.0 110.535 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.09 4.39 10.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -169.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.499 ' HD2' HG23 ' A' ' 587' ' ' VAL . 0.0 OUTLIER -50.27 131.97 24.12 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.104 0.478 . . . . 0.0 110.419 176.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -173.66 74.63 0.09 OUTLIER Glycine 0 N--CA 1.439 -1.123 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 -176.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -66.13 0.9 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.368 0.604 . . . . 0.0 110.508 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -92.18 1.39 57.24 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -169.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.59 -40.32 91.33 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -175.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.73 9.56 1.41 Allowed 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 178.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.46 HG13 HD23 ' A' ' 599' ' ' LEU . 42.9 t -128.82 131.4 68.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 O-C-N 121.846 -0.534 . . . . 0.0 111.056 175.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.528 HG23 ' H ' ' A' ' 599' ' ' LEU . 4.3 t -95.92 161.75 13.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.826 176.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -64.49 -39.73 94.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.521 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -56.23 -38.84 71.61 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.878 177.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.528 ' H ' HG23 ' A' ' 596' ' ' THR . 14.0 tp -54.55 -45.71 73.51 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.056 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -64.25 -49.64 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.375 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 50.6 p -64.72 -40.34 95.17 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.565 -173.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -58.13 -42.52 85.97 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.052 0.453 . . . . 0.0 110.354 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.452 HD13 HD13 ' A' ' 653' ' ' LEU . 36.5 mt -64.12 -37.41 87.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.844 178.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.23 -43.1 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.763 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -64.34 -39.86 94.72 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.145 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -62.58 -39.93 95.26 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.406 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.52 -48.03 83.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.121 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 90.8 t -61.26 -44.75 98.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 176.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.34 -39.36 72.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.852 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.1 84.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.588 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 25.2 mt -83.85 -32.41 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.743 -175.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -156.73 93.11 2.4 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -176.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . 0.432 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 42.6 Cg_endo -74.54 -32.38 6.2 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 121.95 1.767 . . . . 0.0 113.676 -169.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 23.6 p -81.8 108.68 11.85 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 3.7 Cg_exo -79.6 73.15 6.15 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.128 2.552 . . . . 0.0 111.521 177.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.34 127.82 93.54 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.249 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.44 -26.25 52.72 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.299 2.666 . . . . 0.0 113.861 -175.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.05 -51.99 7.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.187 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -57.77 -28.04 63.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.343 175.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -29.09 69.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.044 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -104.35 15.9 27.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.313 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -90.49 127.0 36.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.067 0.461 . . . . 0.0 109.888 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -56.62 -37.02 70.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.47 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -61.75 -38.97 89.94 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.227 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.43 ' O ' HG23 ' A' ' 629' ' ' VAL . 41.3 ttm -57.39 -37.91 73.42 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.765 175.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -58.21 -39.28 78.62 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . 0.496 HD22 ' N ' ' A' ' 627' ' ' ASN . 0.9 OUTLIER -59.67 -40.18 86.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.337 177.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -38.78 84.13 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.491 177.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.637 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 89.0 t -63.29 -45.19 98.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.599 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.24 93.22 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.639 176.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -58.05 -41.35 83.12 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.08 79.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.844 0.354 . . . . 0.0 110.396 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.665 ' O ' ' HG3' ' A' ' 636' ' ' GLU . 40.3 mmtm -54.88 -51.88 64.57 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.186 175.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -56.22 -47.69 77.93 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.602 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.528 ' O ' ' HG2' ' A' ' 639' ' ' MET . 12.8 t -56.53 -51.12 69.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.467 175.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.665 ' HG3' ' O ' ' A' ' 633' ' ' LYS . 0.2 OUTLIER -58.65 -39.05 79.48 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.599 -179.553 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.45 -47.6 82.48 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.58 177.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -64.9 -46.49 81.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.675 0.274 . . . . 0.0 110.478 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.528 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 23.7 mmt -55.78 -36.06 66.95 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.912 177.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -52.3 -37.39 55.61 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.649 -176.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.28 -45.26 77.14 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.411 0.624 . . . . 0.0 110.31 176.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 644' ' ' ASN . 0.6 OUTLIER -63.44 -35.94 82.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.526 178.407 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.49 23.52 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.028 1.731 . . . . 0.0 115.036 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.481 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.7 t-20 -69.2 -0.46 6.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.835 0.35 . . . . 0.0 110.649 -175.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 27.6 p -148.89 145.46 27.46 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.186 174.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -55.36 -50.92 68.43 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -173.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -61.7 -42.94 99.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.08 -176.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.498 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 44.7 tt0 -61.23 -44.97 96.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.671 -178.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -56.72 -49.8 74.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.357 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.426 ' OH ' HD11 ' A' ' 599' ' ' LEU . 37.3 m-85 -67.39 -39.49 85.61 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 121.005 0.431 . . . . 0.0 110.704 -176.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -65.94 -43.12 88.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.738 -174.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 80.7 mt -62.42 -49.0 77.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.187 -177.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.504 ' O ' HG13 ' A' ' 657' ' ' ILE . 7.7 mt -63.65 -45.79 88.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 178.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.85 99.46 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.558 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -61.07 -40.44 93.68 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.43 ' O ' HG13 ' A' ' 660' ' ' ILE . 57.4 tttp -61.36 -43.89 98.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.096 176.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 653' ' ' LEU . 74.4 mt -62.77 -43.99 99.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 0.0 110.46 -178.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -65.07 -38.89 92.26 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -55.9 -48.55 75.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.049 0.452 . . . . 0.0 110.21 174.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.511 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 86.2 mt -59.76 -49.41 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.775 177.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -59.3 -38.32 79.94 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -62.48 -45.48 92.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.259 177.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -64.62 -38.92 92.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.814 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.623 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 90.8 mt -61.43 -40.92 96.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.161 0.505 . . . . 0.0 110.253 176.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.06 -41.69 86.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.297 0.57 . . . . 0.0 110.026 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -61.28 -41.59 97.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.606 -177.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.623 ' HG2' ' O ' ' A' ' 664' ' ' LEU . 23.1 pttp -60.14 -38.38 82.93 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.602 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -61.82 -29.78 70.39 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 122.047 0.927 . . . . 0.0 111.106 176.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -76.34 -29.29 57.18 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 114.116 -1.402 . . . . 0.0 110.276 -177.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 23.1 t -96.0 -6.25 39.29 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.725 -178.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -63.07 130.1 43.22 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.103 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 90.8 mt . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.809 -0.615 . . . . 0.0 109.599 -177.026 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 . . . . . 0 C--O 1.232 0.151 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -76.75 136.83 39.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.064 0.459 . . . . 0.0 111.699 -174.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 87.52 74.16 1.28 Allowed Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.988 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -103.18 -71.78 0.72 Allowed 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.71 0.29 . . . . 0.0 110.309 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 9.9 mt -95.62 146.59 6.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.6 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.4 130.26 72.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 120.748 0.309 . . . . 0.0 111.488 -175.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -73.39 171.5 17.57 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.866 2.377 . . . . 0.0 112.678 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 16.6 m -55.63 -50.35 70.41 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -168.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.7 -40.73 95.87 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -170.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 25.6 mm -63.84 -41.59 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.279 0.561 . . . . 0.0 109.755 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.482 ' O ' HD23 ' B' ' 854' ' ' LEU . 3.2 mmt -64.03 -39.36 93.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.401 176.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -55.54 -40.03 71.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.619 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -63.4 -49.72 72.67 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.099 0.249 . . . . 0.0 110.879 -177.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.57 -38.87 82.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.486 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . 0.482 HD23 ' O ' ' B' ' 850' ' ' MET . 3.8 mm? -64.06 -40.12 95.57 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.77 0.319 . . . . 0.0 111.247 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -83.7 -48.78 9.79 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -175.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -92.62 128.84 38.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.917 0.389 . . . . 0.0 110.492 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 40.2 m -147.66 106.47 3.75 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.359 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo . . . . . 0 C--O 1.247 0.973 0 C-N-CA 123.265 2.644 . . . . 0.0 112.408 -179.736 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.581 0 CA-C-O 120.393 -0.115 . . . . 0.0 113.074 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 25.2 m 42.19 -170.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.702 1.201 . . . . 0.0 112.867 -174.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' A' ' 588' ' ' ARG . 0.0 OUTLIER -109.47 -11.0 14.86 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 121.62 -0.675 . . . . 0.0 110.442 175.088 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.546 ' HD3' ' O ' ' A' ' 589' ' ' LYS . 1.8 tmtp? -111.79 93.79 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.739 0.78 . . . . 0.0 109.874 178.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -156.03 62.67 0.34 Allowed Glycine 0 N--CA 1.433 -1.503 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.275 178.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.415 ' HE3' ' H ' ' A' ' 592' ' ' HIS . 0.0 OUTLIER -83.41 -55.51 4.27 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.563 0.697 . . . . 0.0 109.291 176.484 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . 0.415 ' H ' ' HE3' ' A' ' 591' ' ' TRP . 26.6 m80 -96.86 5.72 50.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.061 -175.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -50.5 -27.0 5.81 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -170.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -83.36 29.92 0.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.05 0.453 . . . . 0.0 111.425 176.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.549 HG13 HD23 ' A' ' 599' ' ' LEU . 72.9 t -134.36 132.83 55.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.831 -0.804 . . . . 0.0 108.831 169.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.517 HG23 ' H ' ' A' ' 599' ' ' LEU . 3.2 t -91.96 156.58 17.34 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.791 0.329 . . . . 0.0 110.83 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -64.37 -38.39 90.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.01 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.53 -38.8 69.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.356 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.549 HD23 HG13 ' A' ' 595' ' ' VAL . 15.9 tp -58.09 -49.89 75.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.619 177.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -64.91 -46.67 80.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.461 -178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . 0.51 ' O ' ' HD2' ' A' ' 605' ' ' HIS . 23.2 p -63.44 -40.47 97.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.268 -175.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -39.42 94.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.018 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.511 HD13 ' CD1' ' A' ' 653' ' ' LEU . 39.7 mt -65.07 -38.0 89.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.755 -178.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.68 -45.71 96.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.886 0.375 . . . . 0.0 110.612 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.51 ' HD2' ' O ' ' A' ' 601' ' ' SER . 69.6 m-70 -62.53 -38.36 89.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.514 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -60.31 -40.65 91.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.743 0.306 . . . . 0.0 110.963 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.25 -41.08 94.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.058 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.512 HG13 HD11 ' A' ' 628' ' ' LEU . 70.2 t -61.55 -44.04 97.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.984 0.421 . . . . 0.0 110.197 174.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.1 -38.82 73.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.685 177.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.418 ' HB1' HG21 ' A' ' 660' ' ' ILE . . . -58.61 -39.18 79.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.76 178.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.403 HG13 ' CD1' ' A' ' 660' ' ' ILE . 23.7 mt -82.79 -35.14 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.355 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -155.55 101.93 2.2 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 -172.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -80.77 -31.9 1.29 Allowed 'Trans proline' 0 CA--C 1.528 0.219 0 C-N-CA 122.087 1.858 . . . . 0.0 112.981 -175.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 22.6 p -81.52 110.8 20.8 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -176.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -79.01 77.64 4.02 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.001 2.467 . . . . 0.0 111.619 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.634 ' HB3' ' HB3' ' A' ' 619' ' ' ALA . 14.3 t70 -71.11 129.15 89.66 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.892 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.94 -26.56 49.65 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.51 2.807 . . . . 0.0 113.839 -175.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -92.78 -47.06 7.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.937 0.399 . . . . 0.0 110.423 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.634 ' HB3' ' HB3' ' A' ' 616' ' ' ASP . . . -57.58 -28.72 63.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.742 178.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -33.22 71.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.092 0.472 . . . . 0.0 110.732 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -100.94 18.3 19.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.111 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . 0.472 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 16.5 t70 -94.67 130.11 41.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.189 0.518 . . . . 0.0 111.153 -174.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . 0.437 ' O ' ' HB3' ' A' ' 626' ' ' GLU . 26.8 mmt180 -59.98 -38.85 83.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.117 -178.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.598 ' HG3' ' CE2' ' B' ' 852' ' ' PHE . 10.2 ttp180 -57.22 -46.61 82.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.96 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.508 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 41.1 ttm -60.21 -37.79 81.35 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.571 0.224 . . . . 0.0 110.838 175.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 623' ' ' ARG . 14.1 tp10 -54.75 -39.49 68.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.849 -177.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.04 -44.28 91.75 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.312 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.512 HD11 HG13 ' A' ' 608' ' ' VAL . 0.9 OUTLIER -67.76 -38.43 83.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.381 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.498 ' O ' ' HG2' ' A' ' 633' ' ' LYS . 60.1 t -64.43 -40.92 90.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.846 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -58.9 -39.01 80.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.164 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.491 ' HE2' HD23 ' B' ' 845' ' ' LEU . 42.6 t80 -64.44 -38.29 90.5 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 178.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.33 95.28 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.931 0.396 . . . . 0.0 110.084 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 629' ' ' VAL . 33.0 mmtm -55.71 -50.77 69.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.586 0.707 . . . . 0.0 111.41 172.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -55.22 -42.42 73.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.804 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.565 ' O ' ' HG2' ' A' ' 639' ' ' MET . 20.1 t -55.52 -48.49 77.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 175.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -55.97 -45.4 78.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.618 0.247 . . . . 0.0 110.673 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.05 -49.18 74.02 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.546 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.97 -46.1 86.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.963 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.565 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.6 mmt -62.65 -36.02 81.5 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.876 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -50.17 -37.91 37.03 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 123.631 0.582 . . . . 0.0 111.598 -175.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.77 -49.81 64.71 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.135 0.493 . . . . 0.0 110.64 176.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . 0.498 ' C ' ' H ' ' A' ' 644' ' ' ASN . 4.2 t -64.81 -37.43 87.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.169 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.53 21.09 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.498 ' H ' ' C ' ' A' ' 642' ' ' SER . 2.8 t30 -79.94 17.51 0.96 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.211 0.529 . . . . 0.0 109.834 -176.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 37.4 p -158.92 137.95 11.28 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 172.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -54.45 -50.45 67.66 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -169.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.55 -40.34 96.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.156 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.574 ' O ' ' HG ' ' A' ' 652' ' ' LEU . 22.8 tt0 -62.07 -45.68 92.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.356 -178.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -55.96 -49.98 72.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.16 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -65.31 -39.2 92.18 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 120.537 0.208 . . . . 0.0 111.519 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -65.74 -42.8 90.57 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.788 -173.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 648' ' ' GLU . 67.8 mt -62.55 -50.52 71.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.367 -176.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.511 ' CD1' HD13 ' A' ' 603' ' ' LEU . 9.7 mt -64.7 -47.35 78.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.25 -178.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.79 88.17 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.464 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -62.05 -42.94 99.71 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.369 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -60.29 -40.69 91.36 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.398 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 653' ' ' LEU . 58.9 mt -62.31 -42.97 97.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.282 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . 0.448 ' HA ' HE21 ' A' ' 661' ' ' GLN . 4.7 t80 -65.11 -38.14 89.72 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.391 175.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 663' ' ' GLU . 32.8 mmtp -57.79 -45.58 85.83 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 176.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.577 ' CD1' HD22 ' B' ' 845' ' ' LEU . 0.3 OUTLIER -59.11 -39.9 79.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 175.014 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . 0.448 HE21 ' HA ' ' A' ' 658' ' ' TYR . 49.2 mt-30 -65.04 -39.72 93.75 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -65.53 -41.27 93.26 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.426 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 659' ' ' LYS . 19.6 mm-40 -65.11 -49.31 70.47 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.896 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.19 -40.49 85.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.538 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . 0.71 ' O ' ' HG2' ' A' ' 669' ' ' ARG . 12.8 mm-40 -64.98 -49.61 69.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 174.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -56.2 -46.6 79.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.655 -172.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -61.66 -39.19 90.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.37 -179.521 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -72.16 -29.09 63.69 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.69 0.757 . . . . 0.0 111.22 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.71 ' HG2' ' O ' ' A' ' 665' ' ' GLU . 13.8 mmt180 -67.2 -31.6 72.1 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.857 178.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 22.0 t -90.52 3.97 52.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.707 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.89 175.21 0.29 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.031 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.323 -0.846 . . . . 0.0 111.787 -175.366 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 120.834 0.349 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -83.14 67.34 9.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 63.91 75.18 0.38 Allowed Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.722 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -122.33 -115.73 0.31 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.859 0.362 . . . . 0.0 110.738 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 10.9 mt -96.32 151.17 4.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.175 -173.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.577 HD22 ' CD1' ' A' ' 660' ' ' ILE . 5.0 mp -88.7 132.28 39.09 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.398 -176.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -46.1 130.65 13.7 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 124.195 3.263 . . . . 0.0 114.107 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.0 t -55.7 -38.91 70.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.351 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -60.6 -38.95 86.36 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.874 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 34.7 mm -64.64 -38.7 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 120.945 0.403 . . . . 0.0 110.164 176.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 31.2 mmt -62.41 -42.86 99.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.216 177.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.71 -39.7 94.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.794 171.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . 0.598 ' CE2' ' HG3' ' A' ' 624' ' ' ARG . 0.4 OUTLIER -59.19 -44.99 92.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.922 -174.381 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -64.21 -43.86 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.662 0.268 . . . . 0.0 111.28 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.38 -36.36 83.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.397 176.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -58.0 -27.46 63.53 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.83 0.347 . . . . 0.0 110.833 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -93.01 127.66 38.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.936 0.398 . . . . 0.0 110.058 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 3.1 m -134.37 80.7 51.36 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.994 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo . . . . . 0 C--O 1.25 1.08 0 C-N-CA 122.912 2.408 . . . . 0.0 112.345 -177.709 . . . . . . . . 0 0 . 1 stop_ save_