data_5u4k_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 5u4k _Structure_validation_residue.Date_analyzed 2017-03-07 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 ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 114.404 0.522 . . . . 50.0 114.404 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 55.9 p-90 -58.76 -36.46 74.42 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.317 0.647 . . . . 50.0 112.702 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -65.13 -39.23 92.74 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.033 0.533 . . . . 50.0 111.936 -175.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -90.82 -3.32 57.48 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.296 0.372 . . . . 75.0 111.583 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -103.52 -26.03 12.99 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.921 -0.581 . . . . 75.0 111.548 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . 0.495 ' HA ' HD11 ' A' ' 599' ' ' LEU . 18.0 t -79.97 127.45 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 N-CA-C 110.058 -0.349 . . . . 50.0 110.058 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 42.8 p -108.35 179.81 4.1 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.522 -0.763 . . . . 25.0 111.341 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.04 -18.16 56.18 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.738 -0.665 . . . . 75.0 110.286 170.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . 0.458 ' O ' ' HD2' ' A' ' 602' ' ' HIS . 73.5 m-20 -85.11 -28.22 25.73 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.927 -0.579 . . . . 50.0 111.074 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.495 HD11 ' HA ' ' A' ' 595' ' ' VAL . 25.2 mt -69.11 -49.03 60.77 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 122.9 0.125 . . . . 75.0 111.069 173.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -57.0 -21.84 33.83 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.677 0.621 . . . . 75.0 112.677 -176.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 83.8 p -84.25 -32.58 24.37 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.16 -0.473 . . . . 75.0 111.293 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . 0.458 ' HD2' ' O ' ' A' ' 598' ' ' ASP . 90.6 m-70 -82.38 -20.31 37.42 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.828 0.451 . . . . 50.0 110.957 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.517 HD22 ' CE2' ' A' ' 650' ' ' TYR . 13.0 mt -74.44 -32.91 62.79 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.821 0.848 . . . . 50.0 110.378 176.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 96.7 t -83.02 -32.74 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-N 114.857 -1.065 . . . . 50.0 110.299 176.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -74.67 -16.96 60.75 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.143 -0.48 . . . . 50.0 110.236 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -83.83 -24.77 30.8 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.369 -0.832 . . . . 75.0 109.042 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 653' ' ' LEU . 2.4 mt -86.69 -39.71 15.78 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.164 -1.38 . . . . 75.0 111.642 -177.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 3.6 p -73.4 -24.3 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 122.99 0.516 . . . . 50.0 111.42 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -81.8 -26.91 33.99 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.613 0.244 . . . . 75.0 111.557 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -80.62 -34.23 35.24 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.892 -0.595 . . . . 25.0 111.585 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.444 HG12 HG23 ' A' ' 660' ' ' ILE . 95.2 mt -77.17 -48.99 23.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 116.245 -0.434 . . . . 75.0 109.929 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.45 ' CG ' HD13 ' B' ' 545' ' ' LEU . 67.3 t80 -141.74 114.42 6.6 Favored Pre-proline 0 CA--C 1.547 0.833 0 O-C-N 123.241 0.338 . . . . 50.0 110.277 172.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . 0.404 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 51.8 Cg_exo -63.61 141.13 78.54 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 122.383 2.055 . . . . 50.0 112.241 173.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 616' ' ' ASP . 27.1 m -90.04 113.24 56.45 Favored Pre-proline 0 C--O 1.237 0.418 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 84.6 Cg_exo -62.61 -52.98 2.0 Allowed 'Trans proline' 0 C--N 1.368 1.567 0 C-N-CA 123.489 2.793 . . . . 75.0 112.588 168.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.455 ' O ' ' CG2' ' A' ' 614' ' ' THR . 7.6 t70 -126.27 142.33 42.46 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 114.929 -1.032 . . . . 75.0 111.045 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . 0.409 ' HD2' ' OD1' ' A' ' 616' ' ' ASP . 42.4 Cg_exo -57.58 -12.77 12.0 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 123.883 3.055 . . . . 50.0 113.986 174.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -82.88 -19.61 37.1 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -66.0 -18.47 65.36 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.471 0.545 . . . . 25.0 112.471 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 95.7 mt -79.19 -12.17 59.97 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.244 0.461 . . . . 50.0 112.244 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -106.04 14.71 27.46 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.058 0.456 . . . . 75.0 110.435 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -86.4 163.2 17.75 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.817 -0.629 . . . . 75.0 110.905 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.16 -52.81 9.32 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 122.737 0.415 . . . . 75.0 111.586 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 16.4 mmm-85 -61.06 -30.18 70.17 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 112.701 0.63 . . . . 50.0 112.701 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.403 ' HE2' ' CD2' ' A' ' 612' ' ' PHE . 61.6 tpp -72.81 -40.31 65.96 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.489 0.316 . . . . 75.0 110.853 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . 0.415 ' HA ' ' HB ' ' A' ' 629' ' ' VAL . 38.8 tt0 -64.47 -20.12 65.99 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.919 0.711 . . . . 50.0 112.919 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -68.72 -41.87 78.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.512 0.56 . . . . 50.0 112.512 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 93.2 mt -86.29 -21.77 27.14 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.566 0.222 . . . . 50.0 110.722 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.486 HG13 ' HD2' ' A' ' 633' ' ' LYS . 2.2 t -55.26 -32.77 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 109.383 -0.599 . . . . 50.0 109.383 167.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -77.98 -18.93 55.38 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 114.508 -1.224 . . . . 25.0 111.522 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -75.91 -42.68 48.21 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.086 -0.506 . . . . 75.0 110.154 169.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.1 -23.83 30.59 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.411 0.444 . . . . 25.0 112.048 -174.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.486 ' HD2' HG13 ' A' ' 629' ' ' VAL . 32.0 mttt -67.78 -24.6 65.34 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.093 0.473 . . . . 75.0 111.284 174.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -85.87 -36.55 19.89 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.001 -1.0 . . . . 75.0 112.217 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.81 -35.73 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 113.472 0.915 . . . . 50.0 113.472 -168.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -51.71 -38.31 54.61 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.884 0.473 . . . . 75.0 112.199 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.36 -19.64 77.69 Favored Glycine 0 C--N 1.347 1.174 0 CA-C-N 116.002 -0.544 . . . . 50.0 113.569 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -82.35 -19.37 39.41 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.53 0.332 . . . . 50.0 110.495 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.494 ' HB2' ' HE2' ' A' ' 639' ' ' MET . 2.7 mtp -82.77 -22.93 34.14 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.278 -0.419 . . . . 75.0 111.351 175.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -77.22 -31.74 55.38 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.964 -0.562 . . . . 50.0 111.273 -176.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -89.06 -26.03 21.62 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.995 -0.548 . . . . 75.0 111.864 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 91.2 p -95.31 -39.67 9.93 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.664 0.616 . . . . 50.0 112.664 -173.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.35 145.95 24.56 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 111.847 0.314 . . . . 25.0 111.847 -176.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -116.77 -6.22 11.55 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.683 -0.689 . . . . 75.0 111.876 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 80.1 p -132.6 163.94 27.77 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.526 -0.307 . . . . 75.0 110.928 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 73.5 ttt-85 -72.7 -28.28 62.58 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.941 -0.572 . . . . 50.0 111.459 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.38 -25.28 36.42 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 123.252 0.345 . . . . 75.0 111.565 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -86.08 -45.36 11.47 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 110.183 -0.303 . . . . 75.0 110.183 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -52.89 -55.1 25.72 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.372 0.669 . . . . 75.0 111.491 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.517 ' CE2' HD22 ' A' ' 603' ' ' LEU . 13.0 m-30 -67.83 -16.13 63.95 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.197 0.814 . . . . 75.0 113.197 177.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -84.63 -36.87 21.7 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.487 0.315 . . . . 50.0 111.758 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.71 -37.02 85.26 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.017 0.527 . . . . 50.0 112.112 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.597 ' CD1' HD13 ' A' ' 607' ' ' LEU . 6.2 tt -72.96 -27.68 61.97 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.994 -0.548 . . . . 75.0 112.019 172.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -82.02 -28.0 32.76 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.279 0.474 . . . . 25.0 112.279 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -71.85 -35.77 69.95 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 112.355 0.502 . . . . 75.0 112.355 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -65.02 -29.75 70.68 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 109.512 -0.551 . . . . 75.0 109.512 171.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 4.3 mt -68.88 -38.97 79.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-N 115.242 -0.89 . . . . 50.0 111.129 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -84.49 -29.22 26.18 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.957 0.408 . . . . 75.0 110.446 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -74.88 -28.22 60.56 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 115.152 -0.931 . . . . 50.0 112.277 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.444 HG23 HG12 ' A' ' 611' ' ' ILE . 91.0 mt -82.27 -27.58 9.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 109.904 -0.406 . . . . 50.0 109.904 175.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -65.19 -19.4 65.96 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.709 -0.678 . . . . 50.0 112.236 173.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -73.56 -43.02 60.85 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 122.862 0.465 . . . . 75.0 112.056 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -70.09 -39.49 75.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 122.978 0.511 . . . . 50.0 112.339 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.17 -21.65 66.35 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.299 0.481 . . . . 50.0 112.299 172.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 CA--C 1.542 0.643 0 C-N-CA 122.615 0.366 . . . . 75.0 110.929 178.851 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 CA--C 1.531 0.249 0 CA-C-O 120.778 0.323 . . . . 75.0 110.679 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 81.5 mt -86.82 -25.65 6.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 115.362 -0.836 . . . . 50.0 111.251 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.26 -11.3 59.41 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.771 0.656 . . . . 50.0 112.771 -175.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -102.5 -11.18 18.74 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.366 -0.834 . . . . 75.0 109.614 173.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 92.8 mtp -89.25 -29.01 19.53 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.255 -0.884 . . . . 50.0 110.926 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -90.95 -21.15 21.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.84 -0.618 . . . . 50.0 111.629 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -76.85 -28.01 55.32 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.102 0.251 . . . . 50.0 110.98 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 77.1 p -81.78 -24.78 35.77 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.097 -0.501 . . . . 50.0 111.616 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.29 -22.58 30.65 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.184 0.438 . . . . 25.0 112.184 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 545' ' ' LEU . . . . . 0.45 HD13 ' CG ' ' A' ' 612' ' ' PHE . 79.1 mt -81.05 -22.91 38.94 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.225 0.454 . . . . 50.0 112.225 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.49 -32.33 19.51 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.834 0.349 . . . . 50.0 110.989 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.6 p -76.27 -16.95 59.68 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.481 -0.782 . . . . 75.0 112.523 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -91.98 -11.61 35.61 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.827 0.677 . . . . 75.0 112.827 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 86.4 mt -101.93 -32.95 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.956 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 95.4 p -99.13 -34.6 10.31 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 123.317 0.386 . . . . 50.0 111.25 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 117.978 -1.01 . . . . 50.0 112.26 179.777 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.814 0 CA-C-O 120.046 -0.308 . . . . 50.0 113.856 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' TRP . . . . . 0.489 ' CZ3' ' HD2' ' A' ' 646' ' ' ARG . 91.0 m95 -84.46 -18.6 35.37 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.514 0.561 . . . . 50.0 112.514 -178.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -80.86 -13.25 59.1 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.352 -0.385 . . . . 50.0 111.64 171.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -76.96 -38.87 52.42 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.303 0.483 . . . . 75.0 112.303 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -90.16 -20.58 22.92 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.147 0.28 . . . . 50.0 111.695 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . 0.435 HG13 ' HH ' ' A' ' 640' ' ' TYR . 52.8 t -85.24 128.51 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 N-CA-C 109.893 -0.41 . . . . 50.0 109.893 175.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 73.2 p -111.12 -176.67 3.01 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.649 -0.705 . . . . 25.0 111.845 -176.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -78.69 -17.76 55.41 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.337 -0.847 . . . . 75.0 110.029 170.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -83.02 -25.29 32.31 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.846 -0.616 . . . . 50.0 111.138 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.852 HD22 ' HH ' ' A' ' 650' ' ' TYR . 3.2 tp -66.61 -50.35 63.29 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 122.885 0.116 . . . . 75.0 111.281 172.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -58.09 -22.39 50.29 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.672 0.619 . . . . 75.0 112.672 -174.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.9 p -83.82 -31.91 25.58 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 123.408 0.443 . . . . 75.0 111.247 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -80.5 -22.99 40.43 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.008 0.523 . . . . 50.0 110.572 176.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 6.6 mt -74.9 -32.59 61.87 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.113 -0.949 . . . . 50.0 110.126 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 11.6 t -83.49 -31.15 8.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 114.951 -1.022 . . . . 50.0 110.918 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 38.0 m170 -76.64 -16.91 59.43 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 120.896 0.379 . . . . 75.0 110.661 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -85.29 -26.42 26.62 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 122.077 0.941 . . . . 75.0 108.817 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.405 HD22 ' CD1' ' A' ' 653' ' ' LEU . 23.0 tp -87.58 -40.35 14.32 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 113.071 -1.877 . . . . 75.0 111.775 -176.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.07 -21.52 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 123.329 0.651 . . . . 50.0 111.365 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -83.14 -27.3 30.22 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.591 0.234 . . . . 75.0 111.289 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.9 -23.04 48.84 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.882 -0.599 . . . . 25.0 111.466 174.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.557 HG12 HG21 ' A' ' 660' ' ' ILE . 95.3 mt -87.4 -59.07 2.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 N-CA-C 109.408 -0.59 . . . . 75.0 109.408 177.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -143.97 106.47 4.91 Favored Pre-proline 0 CA--C 1.547 0.855 0 N-CA-C 110.089 -0.337 . . . . 50.0 110.089 171.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -80.68 145.43 16.21 Favored 'Trans proline' 0 C--N 1.372 1.816 0 C-N-CA 121.999 1.799 . . . . 50.0 112.523 174.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 87.7 m -143.75 124.86 8.03 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 116.26 -0.427 . . . . 25.0 112.073 -177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -49.08 -52.17 9.24 Favored 'Trans proline' 0 C--N 1.372 1.78 0 C-N-CA 124.076 3.184 . . . . 75.0 114.108 171.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -86.07 116.36 65.46 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 115.423 -0.808 . . . . 50.0 111.727 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -63.28 -10.13 20.1 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.926 2.417 . . . . 50.0 114.057 174.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.29 -10.45 59.47 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -82.68 -16.88 46.51 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 122.548 0.339 . . . . 25.0 111.748 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.466 HD23 ' SD ' ' A' ' 625' ' ' MET . 97.6 mt -84.04 1.04 45.76 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.147 -0.479 . . . . 50.0 112.115 -177.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -104.57 14.63 29.58 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.933 0.397 . . . . 75.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -88.6 157.77 18.48 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.78 -0.646 . . . . 75.0 110.818 -177.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 16.7 mmp_? -78.65 -37.45 41.95 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.421 -0.809 . . . . 75.0 110.827 -176.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -72.42 -23.16 61.05 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 114.66 -1.155 . . . . 50.0 111.936 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.466 ' SD ' HD23 ' A' ' 620' ' ' LEU . 0.0 OUTLIER -88.97 -35.2 16.56 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 122.832 0.453 . . . . 75.0 110.844 178.318 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -54.68 -20.41 8.18 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.543 0.737 . . . . 75.0 112.699 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -66.34 -41.09 90.09 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 122.842 0.457 . . . . 50.0 111.828 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.501 HD21 ' CD2' ' A' ' 631' ' ' TYR . 91.5 mt -86.52 -27.86 23.75 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.985 0.178 . . . . 50.0 111.048 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.09 -34.51 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 109.706 -0.479 . . . . 50.0 109.706 170.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -77.35 -18.67 57.2 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.802 -1.09 . . . . 25.0 111.395 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . 0.501 ' CD2' HD21 ' A' ' 628' ' ' LEU . 5.6 m-30 -79.57 -34.65 40.69 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.679 -0.692 . . . . 75.0 110.693 172.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.6 -35.57 22.65 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.156 -0.475 . . . . 25.0 112.24 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -66.4 -26.05 67.06 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.929 0.492 . . . . 75.0 112.273 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -85.25 -30.01 24.17 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.785 0.661 . . . . 75.0 112.785 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.433 ' O ' ' HG3' ' A' ' 639' ' ' MET . 77.6 t -73.99 -36.73 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 111.583 0.216 . . . . 50.0 111.583 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.485 ' HA ' ' HE1' ' A' ' 639' ' ' MET . 2.5 pp20? -64.81 -30.55 71.56 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.074 0.549 . . . . 50.0 111.368 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -82.94 -21.18 59.74 Favored Glycine 0 C--N 1.346 1.132 0 O-C-N 123.486 0.491 . . . . 50.0 113.357 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -83.93 -18.63 36.69 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 122.779 0.432 . . . . 50.0 110.584 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.727 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 9.1 mtm -70.23 -25.23 63.29 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.802 0.667 . . . . 75.0 112.802 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.472 ' HH ' ' HH ' ' A' ' 649' ' ' TYR . 73.4 m-85 -74.99 -33.48 61.86 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 111.65 0.241 . . . . 50.0 111.65 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -88.34 -19.62 26.44 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.956 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 95.3 p -96.15 -33.91 11.87 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.235 0.334 . . . . 75.0 111.771 -177.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -95.95 141.55 29.24 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.195 0.309 . . . . 25.0 111.631 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -112.31 -8.18 13.95 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.802 -0.635 . . . . 75.0 111.981 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 94.4 p -132.7 171.59 13.66 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.311 -0.404 . . . . 50.0 110.953 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.489 ' HD2' ' CZ3' ' A' ' 591' ' ' TRP . 79.1 ttt-85 -76.87 -33.69 57.84 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.428 0.529 . . . . 50.0 112.428 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -81.06 -20.08 42.38 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 123.167 0.292 . . . . 75.0 111.587 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -85.86 -37.38 19.23 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.864 -0.421 . . . . 75.0 109.864 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . 0.472 ' HH ' ' HH ' ' A' ' 640' ' ' TYR . 67.3 t80 -58.46 -55.82 30.11 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.273 0.629 . . . . 75.0 111.385 177.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.852 ' HH ' HD22 ' A' ' 599' ' ' LEU . 62.5 m-85 -72.82 -17.84 61.52 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.557 0.947 . . . . 75.0 113.557 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -84.66 -40.25 17.63 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 111.782 0.29 . . . . 75.0 111.782 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 36.0 mt -54.08 -42.97 69.93 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.403 0.681 . . . . 50.0 112.61 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.727 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -68.39 -33.5 74.36 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.882 -0.599 . . . . 75.0 111.697 174.399 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.435 ' O ' ' CD1' ' A' ' 658' ' ' TYR . . . -72.67 -25.81 61.4 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.194 -0.457 . . . . 25.0 111.325 175.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -67.58 -45.44 75.54 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.856 -0.611 . . . . 75.0 112.195 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -68.14 -24.81 65.04 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.928 -0.397 . . . . 75.0 109.928 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 1.7 mt -72.9 -29.38 29.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 CA-C-N 115.53 -0.759 . . . . 50.0 110.011 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . 0.435 ' CD1' ' O ' ' A' ' 654' ' ' ALA . 35.0 m-85 -84.71 -32.65 23.41 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.079 -0.51 . . . . 75.0 110.999 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -78.87 -31.38 45.52 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 123.534 0.521 . . . . 75.0 112.388 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.557 HG21 HG12 ' A' ' 611' ' ' ILE . 96.7 mt -76.97 -28.55 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.719 -0.475 . . . . 50.0 109.719 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -70.12 -19.66 63.22 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.345 -0.843 . . . . 50.0 112.078 172.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -77.62 -40.79 40.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.758 0.423 . . . . 75.0 111.777 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -73.59 -41.71 62.51 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.009 0.524 . . . . 75.0 111.66 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.5 -18.51 62.28 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.334 -0.848 . . . . 75.0 112.255 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 N--CA 1.474 0.762 0 C-N-CA 123.011 0.524 . . . . 75.0 111.484 178.765 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 111.366 0.135 . . . . 75.0 111.366 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 66.9 mt -86.81 -30.84 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 116.339 -0.391 . . . . 50.0 111.102 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.98 -11.65 58.75 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.831 0.678 . . . . 50.0 112.831 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -98.73 -14.07 19.93 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.414 -0.812 . . . . 75.0 109.824 175.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 96.1 mtp -92.11 -27.8 17.51 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.264 -0.88 . . . . 50.0 110.888 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -92.57 -19.56 21.81 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.518 -0.764 . . . . 50.0 111.752 -177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -73.64 -25.52 60.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.457 0.17 . . . . 75.0 111.21 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.8 p -81.81 -25.49 35.17 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.115 -0.493 . . . . 50.0 111.624 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.2 -22.81 30.78 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.275 -0.42 . . . . 25.0 112.009 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 58.9 mt -83.37 -16.55 45.57 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.553 0.575 . . . . 50.0 112.553 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 93.5 mt -77.68 -43.33 31.57 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.915 0.388 . . . . 50.0 110.817 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.6 p -76.81 -16.21 59.51 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.251 -0.886 . . . . 75.0 111.944 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -74.64 -27.52 60.48 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.122 0.569 . . . . 50.0 112.188 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 40.8 pt -104.89 -19.47 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 115.764 -0.653 . . . . 75.0 112.27 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 81.0 p -94.74 -38.1 10.95 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.364 0.415 . . . . 50.0 111.369 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 117.954 -1.022 . . . . 50.0 110.866 179.767 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.858 0 N-CA-C 114.332 0.493 . . . . 50.0 114.332 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' TRP . . . . . 0.498 ' HD1' ' H ' ' A' ' 592' ' ' HIS . 0.3 OUTLIER -68.31 -34.85 76.87 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.666 0.617 . . . . 50.0 112.666 -177.492 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' HIS . . . . . 0.498 ' H ' ' HD1' ' A' ' 591' ' ' TRP . 61.4 t-80 -71.05 -12.92 61.78 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 122.595 0.358 . . . . 50.0 111.623 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -83.0 -25.67 32.0 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.144 0.424 . . . . 50.0 112.144 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -112.22 -23.65 10.28 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.882 0.697 . . . . 50.0 112.882 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . 0.428 HG23 HD23 ' A' ' 599' ' ' LEU . 77.5 t -79.82 125.83 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 120.851 0.358 . . . . 50.0 110.156 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 66.8 p -112.45 -176.48 2.92 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.325 -0.852 . . . . 25.0 111.238 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -71.4 -18.69 62.33 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.55 -0.75 . . . . 75.0 110.025 166.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -83.3 -39.06 21.29 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 116.148 -0.478 . . . . 75.0 112.171 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.428 HD23 HG23 ' A' ' 595' ' ' VAL . 60.3 tp -62.75 -47.13 84.9 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 111.843 0.312 . . . . 75.0 111.843 177.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -57.61 -29.46 64.54 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.748 0.419 . . . . 75.0 111.66 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 69.6 p -80.55 -25.92 38.32 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.346 -0.843 . . . . 75.0 111.138 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -84.67 -20.31 31.47 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.01 -0.541 . . . . 50.0 110.894 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.414 HD12 ' HH ' ' A' ' 649' ' ' TYR . 35.7 mt -78.63 -37.13 42.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.56 0.744 . . . . 75.0 109.674 175.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 53.5 t -71.52 -35.61 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 114.728 -1.124 . . . . 50.0 110.65 171.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -74.92 -17.22 60.6 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.857 0.361 . . . . 50.0 110.388 175.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -83.22 -22.7 33.06 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.438 -0.801 . . . . 75.0 109.178 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 3.2 tp -86.53 -43.59 12.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.13 -1.396 . . . . 75.0 111.5 -177.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 63.7 t -71.02 -24.3 24.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.344 0.657 . . . . 50.0 111.414 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -84.9 -26.89 27.0 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.575 0.226 . . . . 75.0 111.285 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -75.66 -28.77 58.86 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.889 -0.596 . . . . 25.0 111.286 174.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 51.9 mt -91.25 -41.29 13.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 116.088 -0.506 . . . . 75.0 109.764 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -134.59 100.69 12.26 Favored Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 122.79 0.436 . . . . 50.0 110.205 174.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.3 133.68 13.5 Favored 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.418 2.079 . . . . 50.0 112.492 174.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.23 126.87 5.65 Favored Pre-proline 0 CA--C 1.543 0.704 0 CA-C-N 116.357 -0.383 . . . . 25.0 111.924 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -52.85 -52.45 8.81 Favored 'Trans proline' 0 C--N 1.371 1.73 0 C-N-CA 123.814 3.01 . . . . 75.0 114.067 172.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -86.83 121.69 71.73 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 115.561 -0.745 . . . . 50.0 112.163 -176.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -63.46 -10.23 20.92 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 123.037 2.491 . . . . 50.0 114.085 173.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.13 -8.19 57.07 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.852 0.686 . . . . 25.0 112.852 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.62 -7.94 59.65 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.208 0.447 . . . . 25.0 112.208 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 98.4 mt -82.98 4.03 27.63 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.925 -0.58 . . . . 75.0 112.527 -174.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -98.8 15.25 26.04 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.055 0.455 . . . . 75.0 111.337 -176.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -81.73 154.42 26.03 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.63 -0.713 . . . . 75.0 111.047 -177.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -83.44 -37.17 23.55 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.526 -0.761 . . . . 75.0 110.865 -175.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 -66.8 -22.09 66.03 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.077 -0.965 . . . . 50.0 111.953 176.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.468 ' HG3' HG21 ' A' ' 629' ' ' VAL . 26.2 tpp -79.19 -40.68 30.2 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.23 0.612 . . . . 75.0 111.399 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -54.8 -21.13 10.2 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 112.613 0.597 . . . . 75.0 112.613 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -79.99 -28.51 39.47 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.51 0.324 . . . . 50.0 111.467 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 65.1 tp -86.04 -42.27 14.1 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.004 0.522 . . . . 75.0 110.203 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.489 HG11 ' HD2' ' A' ' 633' ' ' LYS . 54.5 t -57.43 -29.44 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.193 0.597 . . . . 50.0 110.784 174.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -78.0 -18.71 55.59 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.874 -0.603 . . . . 25.0 111.53 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . 0.449 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 15.5 t80 -76.54 -40.77 48.88 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.955 -0.566 . . . . 75.0 110.531 171.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.2 -21.73 31.16 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 123.208 0.318 . . . . 25.0 111.788 -176.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.489 ' HD2' HG11 ' A' ' 629' ' ' VAL . 46.3 mttt -70.88 -24.42 62.49 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.913 0.387 . . . . 75.0 111.618 175.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -85.31 -33.73 22.03 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.344 -0.843 . . . . 75.0 111.817 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.591 ' O ' ' HG3' ' A' ' 639' ' ' MET . 96.1 t -75.86 -31.96 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 112.423 0.527 . . . . 50.0 112.423 -173.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -70.13 -28.91 65.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.499 0.32 . . . . 50.0 111.464 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -82.06 -22.05 59.96 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 116.315 -0.402 . . . . 50.0 113.281 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -84.92 -18.86 33.36 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.726 0.411 . . . . 50.0 110.496 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.796 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 2.9 mtm -69.76 -32.86 71.62 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.427 0.691 . . . . 75.0 112.694 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -78.47 -25.18 45.74 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.092 0.245 . . . . 50.0 111.319 -176.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -88.35 -22.69 23.68 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.25 -0.432 . . . . 75.0 111.502 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 p -96.15 -30.05 13.73 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.252 -0.431 . . . . 75.0 111.973 -177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . 0.403 ' O ' ' CH2' ' A' ' 591' ' ' TRP . . . -99.98 151.81 20.91 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.866 0.321 . . . . 25.0 111.866 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -121.0 -13.5 8.58 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.726 -0.67 . . . . 50.0 110.974 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 94.3 p -131.57 173.0 11.56 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.534 -0.303 . . . . 50.0 111.115 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.516 ' HG3' ' CE1' ' A' ' 650' ' ' TYR . 16.6 ttt-85 -75.23 -32.47 61.15 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.804 0.441 . . . . 50.0 111.673 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -80.38 -21.84 41.91 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 111.97 0.359 . . . . 50.0 111.97 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -86.6 -42.73 13.22 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 110.128 -0.323 . . . . 75.0 110.128 175.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . 0.414 ' HH ' HD12 ' A' ' 603' ' ' LEU . 89.0 t80 -57.3 -51.42 69.44 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.252 0.621 . . . . 75.0 111.726 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.516 ' CE1' ' HG3' ' A' ' 646' ' ' ARG . 35.8 m-85 -75.74 -17.32 59.95 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.649 0.981 . . . . 75.0 113.649 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -84.85 -36.61 21.46 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 111.728 0.27 . . . . 75.0 111.728 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 43.8 mt -57.7 -39.12 76.47 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.603 0.761 . . . . 50.0 112.393 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.796 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -73.67 -34.83 65.08 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.635 -0.711 . . . . 75.0 112.277 174.275 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -75.3 -27.68 59.42 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -74.91 -30.84 61.39 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.352 0.501 . . . . 75.0 112.352 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -71.09 -29.52 65.4 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.331 -0.618 . . . . 75.0 109.331 171.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 1.8 mt -69.56 -30.55 45.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.168 -0.924 . . . . 50.0 110.662 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -85.19 -34.28 22.1 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.275 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -75.11 -33.95 61.65 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 112.207 0.447 . . . . 75.0 112.207 -177.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 80.9 mt -72.14 -32.75 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 109.617 -0.512 . . . . 50.0 109.617 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -71.34 -20.07 62.22 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.549 -0.751 . . . . 50.0 112.379 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -74.37 -38.47 63.17 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.16 0.429 . . . . 75.0 112.16 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -74.06 -44.1 55.43 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.189 0.596 . . . . 75.0 111.403 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.23 -19.2 61.75 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.849 -0.614 . . . . 50.0 112.16 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.542 0.672 0 C-N-CA 122.769 0.427 . . . . 75.0 110.992 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.464 0.274 0 N-CA-C 112.014 0.375 . . . . 75.0 112.014 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.6 mt -86.04 -40.02 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 112.025 0.38 . . . . 50.0 112.025 -174.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -79.2 -15.79 57.52 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.559 0.577 . . . . 50.0 112.559 -176.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -92.09 -25.68 18.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.447 -0.797 . . . . 75.0 109.633 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 92.9 mtp -75.75 -21.48 57.42 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.81 -0.632 . . . . 50.0 110.549 169.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -79.99 -54.87 5.39 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.175 -0.92 . . . . 50.0 111.405 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.11 -18.79 60.76 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 112.777 0.658 . . . . 75.0 112.777 -173.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.9 p -78.85 -23.18 45.14 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.383 0.427 . . . . 50.0 111.313 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -81.97 -31.91 30.95 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.293 -0.412 . . . . 25.0 111.18 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 545' ' ' LEU . . . . . 0.408 HD13 ' HE1' ' A' ' 625' ' ' MET . 4.4 mt -84.05 -14.18 51.2 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.823 -0.626 . . . . 50.0 111.333 173.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 47.6 tp -74.92 -38.54 61.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.751 -0.659 . . . . 75.0 111.245 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.5 p -76.05 -16.46 59.93 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.696 -0.683 . . . . 75.0 112.004 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -78.85 -11.23 59.99 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.606 0.595 . . . . 75.0 112.606 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 66.1 mt -98.07 -32.63 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 116.008 -0.542 . . . . 50.0 110.523 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 78.4 p -95.48 -40.39 9.5 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.247 0.342 . . . . 50.0 111.549 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.765 -0.636 . . . . 50.0 110.595 -179.801 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 CA-C-O 119.696 -0.502 . . . . 50.0 114.165 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 12.4 p-90 -84.21 -33.28 24.17 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.988 0.394 . . . . 50.0 111.48 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' HIS . . . . . 0.415 ' HD1' ' HH ' ' A' ' 640' ' ' TYR . 2.6 t60 -63.97 -41.3 97.58 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.503 0.721 . . . . 50.0 111.984 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -84.61 -10.54 57.27 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 123.182 0.301 . . . . 50.0 111.703 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -95.06 -26.18 16.16 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.699 -0.682 . . . . 75.0 111.445 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . 0.526 HG13 HD22 ' A' ' 599' ' ' LEU . 25.4 t -82.47 131.86 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 120.858 0.361 . . . . 50.0 110.367 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 81.8 p -104.4 176.57 5.11 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.404 -0.817 . . . . 25.0 111.568 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -78.14 -17.69 56.56 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.519 -0.764 . . . . 75.0 110.014 170.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -81.64 -24.09 36.56 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.703 -0.681 . . . . 50.0 110.915 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.526 HD22 HG13 ' A' ' 595' ' ' VAL . 15.5 tp -67.38 -49.79 62.42 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.05 0.218 . . . . 75.0 111.272 173.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -59.83 -22.15 61.86 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 112.568 0.581 . . . . 75.0 112.568 -175.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 95.2 p -84.12 -28.52 27.43 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.162 -0.472 . . . . 75.0 111.155 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -84.35 -20.52 31.85 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.068 -0.515 . . . . 50.0 110.834 178.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 42.6 mt -76.56 -35.78 58.01 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.446 0.699 . . . . 75.0 109.867 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 53.5 t -71.94 -39.2 66.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 114.783 -1.098 . . . . 50.0 110.698 172.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -71.96 -17.53 62.06 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.355 0.409 . . . . 50.0 110.621 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -85.27 -22.48 28.58 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.518 -0.764 . . . . 75.0 109.226 175.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 13.1 mt -86.88 -40.66 14.66 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 114.278 -1.328 . . . . 75.0 111.626 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.2 t -71.71 -25.59 24.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.361 0.665 . . . . 50.0 111.512 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -81.12 -26.71 35.94 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 120.615 0.245 . . . . 75.0 111.65 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -78.31 -35.54 47.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.857 -0.611 . . . . 25.0 111.596 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.403 HG12 HG23 ' A' ' 660' ' ' ILE . 91.7 mt -77.76 -49.57 21.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 109.827 -0.434 . . . . 75.0 109.827 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.495 ' CZ ' ' HB3' ' B' ' 545' ' ' LEU . 57.4 t80 -140.36 103.3 6.6 Favored Pre-proline 0 CA--C 1.551 0.989 0 O-C-N 123.233 0.333 . . . . 50.0 110.287 172.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -75.94 136.02 18.07 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.434 2.089 . . . . 50.0 112.505 174.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.8 t -148.94 126.14 5.53 Favored Pre-proline 0 CA--C 1.544 0.748 0 N-CA-C 112.119 0.414 . . . . 25.0 112.119 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -49.9 -53.87 6.37 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 124.109 3.206 . . . . 75.0 114.379 172.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -80.38 117.31 67.11 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.492 -0.776 . . . . 50.0 112.33 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -65.47 -10.32 25.77 Favored 'Trans proline' 0 C--N 1.376 1.981 0 C-N-CA 122.786 2.324 . . . . 50.0 113.946 172.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -74.78 -8.2 55.72 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.732 0.642 . . . . 25.0 112.732 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.42 -12.11 59.04 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 90.8 mt -85.15 2.85 41.79 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.393 0.516 . . . . 50.0 112.393 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -103.33 14.36 31.7 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.07 0.462 . . . . 75.0 110.655 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -87.76 153.63 21.2 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.839 -0.619 . . . . 75.0 110.755 -177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.3 mmp_? -79.2 -37.08 39.1 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 115.429 -0.805 . . . . 75.0 110.882 -175.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -73.04 -21.46 60.8 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.784 -1.098 . . . . 50.0 112.378 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -86.67 -37.11 18.3 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.506 0.322 . . . . 75.0 111.211 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -53.73 -19.86 4.74 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.629 0.974 . . . . 50.0 113.629 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -68.82 -39.69 79.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.768 0.427 . . . . 50.0 111.723 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 79.0 mt -86.44 -31.06 21.6 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.513 0.197 . . . . 50.0 110.696 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 67.9 t -54.52 -34.92 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 123.21 0.604 . . . . 50.0 110.032 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -80.23 -18.48 49.34 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.756 -1.111 . . . . 25.0 111.545 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -73.88 -40.18 63.39 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.075 0.55 . . . . 75.0 110.741 172.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.68 -28.04 26.66 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.44 -0.345 . . . . 25.0 111.903 -177.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -61.54 -32.0 72.05 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.313 0.645 . . . . 75.0 112.252 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -87.07 -27.56 23.08 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.092 1.145 . . . . 75.0 114.092 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.71 -54.85 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 112.916 0.71 . . . . 50.0 112.916 -170.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -58.62 -20.62 49.04 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 113.453 0.909 . . . . 75.0 113.453 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.36 -23.41 78.1 Favored Glycine 0 C--N 1.345 1.035 0 C-N-CA 121.701 -0.285 . . . . 50.0 112.828 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -87.28 -19.44 28.26 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.876 0.47 . . . . 75.0 111.312 175.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.452 ' SD ' ' HB3' ' A' ' 653' ' ' LEU . 4.9 mtm -72.41 -20.77 61.37 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.898 0.479 . . . . 75.0 112.033 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.415 ' HH ' ' HD1' ' A' ' 592' ' ' HIS . 35.0 t80 -75.3 -34.45 61.29 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.959 -0.564 . . . . 50.0 111.371 -177.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -88.82 -25.26 22.3 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.182 -0.463 . . . . 75.0 112.115 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 m -86.63 -45.93 10.56 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.905 0.335 . . . . 75.0 111.905 -175.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -84.74 147.28 26.96 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.276 0.36 . . . . 25.0 111.896 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -107.82 -13.12 15.07 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.723 -0.671 . . . . 50.0 111.201 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.3 p -131.72 159.25 38.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.494 -0.321 . . . . 75.0 110.672 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -75.56 -25.18 56.88 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.894 -0.593 . . . . 75.0 111.839 -175.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -81.31 -23.28 37.96 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.29 0.368 . . . . 50.0 111.326 175.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -86.17 -44.03 12.54 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.201 -0.454 . . . . 75.0 109.993 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -53.9 -50.7 65.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.712 0.805 . . . . 75.0 111.487 178.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.554 ' HA ' HD22 ' A' ' 653' ' ' LEU . 20.3 m-30 -66.17 -16.42 63.96 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.194 0.813 . . . . 75.0 113.194 174.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -84.82 -29.34 25.44 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.398 0.518 . . . . 50.0 112.398 -175.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.45 -28.51 67.94 Favored 'General case' 0 C--N 1.349 0.566 0 N-CA-C 112.008 0.373 . . . . 75.0 112.008 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.554 HD22 ' HA ' ' A' ' 650' ' ' TYR . 0.2 OUTLIER -87.71 -29.9 20.75 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.21 0.319 . . . . 75.0 111.746 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.452 ' N ' ' HG ' ' A' ' 653' ' ' LEU . . . -76.2 -24.91 54.7 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.252 0.345 . . . . 25.0 111.699 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -79.02 -31.72 44.79 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.088 0.403 . . . . 75.0 112.088 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -68.78 -29.72 68.15 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 109.07 -0.715 . . . . 75.0 109.07 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 4.3 mt -69.86 -39.0 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-N 115.405 -0.816 . . . . 50.0 111.186 -176.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -82.99 -29.0 29.31 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.915 0.388 . . . . 75.0 110.356 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -76.36 -34.17 58.94 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.216 -0.902 . . . . 50.0 112.41 -177.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.403 HG23 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -75.07 -30.21 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 N-CA-C 109.905 -0.406 . . . . 50.0 109.905 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -63.08 -19.73 64.69 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.334 -0.848 . . . . 50.0 112.656 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -77.89 -43.11 31.09 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.806 0.442 . . . . 75.0 111.459 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -63.56 -42.64 98.33 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.899 0.88 . . . . 75.0 112.051 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.45 -18.75 65.54 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.996 -0.547 . . . . 50.0 112.435 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.472 0.642 0 C-N-CA 122.247 0.219 . . . . 50.0 111.425 175.429 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 CA--C 1.534 0.358 0 N-CA-C 111.444 0.164 . . . . 75.0 111.444 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.4 mt -86.97 -49.52 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 123.219 0.325 . . . . 50.0 111.817 -174.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 538' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' B' ' 542' ' ' PHE . . . -74.75 -10.24 59.33 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.603 0.594 . . . . 75.0 112.603 -175.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -97.25 -14.17 21.55 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.288 -0.869 . . . . 75.0 110.14 174.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 80.6 mtp -89.07 -28.51 20.07 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.099 -0.501 . . . . 50.0 111.276 172.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -93.11 -22.32 19.16 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.808 -0.633 . . . . 50.0 112.628 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 542' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' B' ' 538' ' ' ALA . 44.8 t80 -72.4 -30.17 64.41 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 111.496 0.184 . . . . 75.0 111.496 -176.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 93.6 p -81.92 -28.84 32.6 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.22 -0.445 . . . . 75.0 111.021 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 544' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -79.04 -28.29 43.21 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.795 -0.639 . . . . 25.0 111.428 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 545' ' ' LEU . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 612' ' ' PHE . 76.6 mt -83.45 -20.13 34.61 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.242 0.617 . . . . 50.0 110.927 173.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' B' ' 546' ' ' LEU . 7.4 mt -76.6 -30.96 57.18 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.597 -0.729 . . . . 75.0 110.739 177.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.6 p -76.96 -16.3 59.39 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.718 -0.674 . . . . 75.0 112.065 175.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 90.7 mm-40 -76.18 -16.35 59.87 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.492 0.552 . . . . 75.0 112.492 -177.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 38.3 pt -104.69 -17.42 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-N 116.174 -0.467 . . . . 75.0 112.104 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 87.1 p -100.83 -29.87 12.01 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.428 -0.351 . . . . 50.0 111.406 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 117.993 -1.003 . . . . 50.0 112.032 -179.346 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 CA-C-O 120.349 -0.139 . . . . 50.0 112.986 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' TRP . . . . . 0.512 ' HZ3' ' CD1' ' A' ' 640' ' ' TYR . 68.8 p-90 -84.39 -33.84 23.69 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.258 0.623 . . . . 50.0 112.271 -177.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -68.32 -35.46 77.83 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.54 0.336 . . . . 50.0 111.62 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -86.1 -12.37 50.22 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.236 0.335 . . . . 50.0 111.462 177.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -97.49 -26.6 14.77 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.763 -0.653 . . . . 75.0 111.36 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . 0.627 ' HA ' HD12 ' A' ' 599' ' ' LEU . 74.3 t -87.6 127.3 40.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 109.722 -0.473 . . . . 50.0 109.722 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.576 ' HG1' ' H ' ' A' ' 598' ' ' ASP . 42.9 p -108.1 -179.99 4.05 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.516 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -76.76 -18.59 58.37 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.881 -0.599 . . . . 75.0 110.215 170.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . 0.576 ' H ' ' HG1' ' A' ' 596' ' ' THR . 72.2 m-20 -85.13 -31.42 23.31 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.84 -0.618 . . . . 50.0 111.227 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 595' ' ' VAL . 31.8 mt -65.4 -47.22 77.07 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 111.677 0.251 . . . . 75.0 111.677 175.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -57.6 -32.48 67.24 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.803 0.441 . . . . 75.0 111.733 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.4 p -73.43 -27.8 61.63 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.6 -0.727 . . . . 75.0 111.386 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 598' ' ' ASP . 90.6 m-70 -86.36 -21.23 27.33 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.166 -0.47 . . . . 50.0 110.864 177.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.2 -36.84 54.57 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.119 0.568 . . . . 75.0 109.994 175.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 48.3 t -71.27 -37.24 65.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.281 1.032 . . . . 50.0 110.465 172.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -73.71 -17.75 61.08 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 123.302 0.376 . . . . 50.0 110.592 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -85.5 -22.32 28.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.504 -0.771 . . . . 75.0 109.244 175.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.408 HD23 HG13 ' A' ' 657' ' ' ILE . 9.4 mt -86.13 -39.26 16.9 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.235 -1.348 . . . . 75.0 111.378 -178.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.4 t -73.83 -26.4 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 122.975 0.51 . . . . 50.0 111.381 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -81.76 -26.75 34.22 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.533 0.206 . . . . 75.0 111.396 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -80.47 -32.47 37.12 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.863 -0.608 . . . . 25.0 111.679 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 98.8 mt -77.68 -53.36 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 109.848 -0.427 . . . . 75.0 109.848 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.44 ' CG ' HD13 ' B' ' 545' ' ' LEU . 58.6 t80 -138.19 106.08 7.95 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 110.14 -0.318 . . . . 50.0 110.14 173.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -66.46 136.29 42.53 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 122.422 2.081 . . . . 50.0 112.195 173.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 44.7 p -105.54 114.45 63.11 Favored Pre-proline 0 C--O 1.236 0.385 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 -175.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -60.73 -51.03 5.43 Favored 'Trans proline' 0 C--N 1.369 1.656 0 C-N-CA 123.349 2.7 . . . . 75.0 112.521 166.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -104.12 122.98 42.32 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 114.763 -1.108 . . . . 50.0 111.273 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -61.34 -10.11 14.9 Favored 'Trans proline' 0 C--N 1.377 2.065 0 C-N-CA 122.956 2.437 . . . . 50.0 114.108 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . 0.41 ' HB2' ' NZ ' ' A' ' 621' ' ' LYS . . . -76.51 -8.27 56.85 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 -178.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.52 -8.18 59.69 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 88.7 mt -82.17 -9.24 59.58 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.142 -0.481 . . . . 75.0 112.087 -176.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 618' ' ' ALA . 25.3 pttm -105.53 14.47 28.52 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 121.042 0.449 . . . . 50.0 110.226 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -85.9 163.84 17.82 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.894 -0.593 . . . . 75.0 111.046 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -78.76 -52.19 8.72 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.987 -0.551 . . . . 75.0 111.6 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -62.99 -27.96 69.77 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.484 0.55 . . . . 50.0 112.484 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 54.8 tpp -76.0 -38.56 57.22 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.765 0.426 . . . . 75.0 110.731 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.03 -20.36 65.86 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.356 0.663 . . . . 75.0 112.211 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -70.65 -42.02 71.36 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 122.764 0.426 . . . . 50.0 111.988 -176.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 95.7 mt -86.32 -21.85 27.06 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.945 0.153 . . . . 50.0 110.875 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.41 HG12 ' HD2' ' A' ' 633' ' ' LYS . 3.2 t -55.01 -32.88 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 109.39 -0.596 . . . . 50.0 109.39 166.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -79.94 -18.83 49.45 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.649 -1.16 . . . . 25.0 111.63 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . 0.495 ' O ' ' HB3' ' A' ' 634' ' ' LYS . 38.4 t80 -75.09 -42.23 57.15 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.173 -0.467 . . . . 75.0 110.43 170.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.47 -24.58 29.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.364 -0.38 . . . . 25.0 111.942 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.41 ' HD2' HG12 ' A' ' 629' ' ' VAL . 62.1 mttt -71.39 -19.04 62.32 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.436 0.636 . . . . 75.0 110.164 172.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 631' ' ' TYR . 15.4 ttpt -79.05 -47.63 15.85 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 114.405 -1.27 . . . . 75.0 111.952 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 29.7 m -72.99 -37.49 53.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 114.312 1.227 . . . . 50.0 114.312 -159.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -53.36 -31.76 46.12 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 112.758 0.651 . . . . 75.0 112.758 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -70.42 -19.73 76.37 Favored Glycine 0 C--N 1.347 1.155 0 O-C-N 123.379 0.424 . . . . 50.0 113.31 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -86.19 -19.39 30.12 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 122.807 0.443 . . . . 50.0 110.592 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.582 ' HG2' ' HB2' ' A' ' 652' ' ' LEU . 15.8 mtt -80.54 -22.09 41.15 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.16 -0.473 . . . . 75.0 111.992 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.512 ' CD1' ' HZ3' ' A' ' 591' ' ' TRP . 44.2 t80 -77.87 -29.3 50.26 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.091 -0.504 . . . . 50.0 111.536 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -89.05 -25.69 21.81 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.067 -0.515 . . . . 75.0 112.076 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.2 m -91.62 -46.0 8.17 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.449 0.537 . . . . 50.0 112.449 -174.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.48 152.1 27.5 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 -177.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -115.9 -12.84 11.35 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.637 -0.71 . . . . 75.0 112.123 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 55.4 p -132.18 -178.81 5.07 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 123.054 0.221 . . . . 50.0 111.288 -177.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -81.26 -36.4 29.97 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 122.492 0.317 . . . . 50.0 111.338 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -78.64 -21.59 48.16 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.358 0.411 . . . . 75.0 111.356 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -86.2 -40.01 16.04 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.293 0.37 . . . . 75.0 110.246 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -56.44 -52.61 64.02 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.27 0.628 . . . . 75.0 111.534 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -67.22 -15.7 63.85 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 112.772 0.656 . . . . 75.0 112.772 177.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -79.63 -36.01 38.54 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.343 0.498 . . . . 75.0 112.343 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.582 ' HB2' ' HG2' ' A' ' 639' ' ' MET . 80.6 mt -66.58 -26.15 66.97 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 112.234 0.457 . . . . 75.0 112.234 177.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.537 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -84.6 -30.82 24.66 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.636 0.374 . . . . 75.0 111.634 178.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.86 -32.98 57.89 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 122.64 0.376 . . . . 25.0 111.82 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -74.73 -25.93 59.45 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 111.832 0.308 . . . . 75.0 111.832 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 652' ' ' LEU . 62.4 mttp -73.02 -26.25 61.25 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-O 121.214 0.531 . . . . 75.0 109.928 171.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.408 HG13 HD23 ' A' ' 607' ' ' LEU . 5.0 mt -74.42 -28.81 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 114.746 -1.115 . . . . 50.0 110.744 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -85.24 -33.73 22.14 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.276 -0.42 . . . . 75.0 111.609 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -71.5 -31.48 67.14 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 112.402 0.519 . . . . 75.0 112.402 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 97.5 mt -76.79 -31.45 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 CA-C-N 116.172 -0.467 . . . . 50.0 109.893 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -66.83 -20.1 65.87 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.359 -0.837 . . . . 50.0 112.286 173.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . 0.491 ' O ' ' HB2' ' A' ' 665' ' ' GLU . 59.7 tttm -77.77 -39.55 43.73 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.276 0.472 . . . . 75.0 112.276 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -71.69 -37.39 70.71 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.704 0.402 . . . . 50.0 112.041 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.66 -19.77 65.91 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.943 -0.571 . . . . 50.0 112.482 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 662' ' ' LYS . 64.9 mt-10 . . . . . 0 N--CA 1.476 0.84 0 C-N-CA 122.749 0.42 . . . . 50.0 112.078 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 120.944 0.402 . . . . 75.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 94.4 mt -86.4 -26.37 6.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.262 -0.881 . . . . 50.0 111.195 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.79 -17.47 47.46 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.4 0.889 . . . . 50.0 113.4 -173.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -93.84 -17.68 22.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.899 -0.591 . . . . 50.0 110.379 174.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 87.6 mtp -85.23 -33.08 22.29 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.827 -1.079 . . . . 75.0 110.137 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -86.07 -20.16 29.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.349 -0.841 . . . . 50.0 111.885 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -74.59 -29.92 61.5 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.578 0.228 . . . . 75.0 110.959 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.8 p -82.11 -23.39 35.72 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.03 -0.532 . . . . 50.0 111.463 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 544' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.21 -23.71 30.39 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.224 -0.444 . . . . 25.0 112.058 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 545' ' ' LEU . . . . . 0.44 HD13 ' CG ' ' A' ' 612' ' ' PHE . 50.3 mt -78.87 -18.49 53.84 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.879 0.471 . . . . 50.0 112.163 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 90.5 mt -85.75 -28.9 24.28 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.907 0.384 . . . . 50.0 110.608 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.9 p -75.8 -16.17 60.14 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.191 -0.913 . . . . 50.0 112.143 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 71.9 mm-40 -76.69 -25.79 54.02 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.479 0.548 . . . . 75.0 112.479 -178.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 78.8 mt -99.69 -27.66 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 115.354 -0.839 . . . . 50.0 112.385 -178.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 70.0 p -95.81 -33.34 12.29 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.241 0.338 . . . . 50.0 111.81 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 N--CA 1.483 1.195 0 C-N-CA 123.959 0.904 . . . . 50.0 111.88 -179.74 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 112.885 -0.086 . . . . 50.0 112.885 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -84.55 -27.86 27.04 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.167 0.587 . . . . 50.0 112.522 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -13.56 61.08 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.103 0.252 . . . . 50.0 111.198 175.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -81.82 -32.5 31.21 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.064 0.394 . . . . 75.0 112.064 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -99.16 -23.12 15.35 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.475 0.546 . . . . 50.0 112.475 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 76.9 t -80.3 125.04 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 109.557 -0.535 . . . . 50.0 109.557 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.628 ' HG1' ' H ' ' A' ' 598' ' ' ASP . 73.3 p -112.51 -176.0 2.81 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.347 -0.842 . . . . 25.0 111.463 -177.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -76.08 -17.87 59.44 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.869 -0.605 . . . . 75.0 110.065 168.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . 0.628 ' H ' ' HG1' ' A' ' 596' ' ' THR . 95.9 m-20 -82.68 -35.07 27.15 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 115.86 -0.609 . . . . 75.0 111.928 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 26.8 tp -64.76 -47.24 78.89 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 111.559 0.207 . . . . 75.0 111.559 174.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -59.48 -23.61 62.9 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.446 0.536 . . . . 75.0 112.446 -176.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 94.9 p -83.84 -27.83 28.45 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.135 -0.484 . . . . 75.0 111.024 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -85.31 -22.45 28.52 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 122.767 0.427 . . . . 50.0 110.663 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 24.7 mt -73.96 -34.8 64.39 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.646 -0.706 . . . . 75.0 109.669 173.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.401 ' HA ' HD12 ' A' ' 607' ' ' LEU . 19.9 t -76.39 -34.24 24.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-N 114.7 -1.137 . . . . 50.0 110.794 172.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -70.94 -17.11 62.69 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.925 0.393 . . . . 50.0 110.297 174.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -82.93 -24.1 33.2 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.192 -0.913 . . . . 75.0 109.151 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.439 HD13 HD23 ' A' ' 653' ' ' LEU . 19.8 mt -86.86 -47.59 8.9 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.142 -1.39 . . . . 75.0 111.46 -176.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 63.7 t -65.25 -24.06 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.759 0.824 . . . . 50.0 111.504 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -84.97 -29.67 24.87 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.476 0.179 . . . . 75.0 111.262 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.5 -23.61 50.26 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.559 174.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 90.0 mt -85.42 -55.59 6.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 116.077 -0.51 . . . . 75.0 109.659 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' B' ' 545' ' ' LEU . 81.7 t80 -138.14 102.67 8.2 Favored Pre-proline 0 CA--C 1.55 0.967 0 CA-C-N 116.54 -0.3 . . . . 50.0 110.473 175.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -77.17 135.48 15.28 Favored 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.577 2.185 . . . . 50.0 112.354 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 2.5 t -152.02 127.0 4.71 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -50.92 -51.51 11.04 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 123.953 3.102 . . . . 75.0 114.355 172.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -74.66 116.52 54.25 Favored Pre-proline 0 N--CA 1.472 0.648 0 CA-C-N 115.657 -0.702 . . . . 50.0 112.359 -177.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.67 -10.26 25.83 Favored 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 122.821 2.348 . . . . 50.0 113.766 172.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -73.73 -8.36 55.69 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.706 0.632 . . . . 25.0 112.706 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -82.02 -17.28 47.35 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 122.612 0.365 . . . . 25.0 111.908 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 88.8 mt -82.98 -3.4 57.14 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.19 -0.459 . . . . 50.0 112.078 -177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -105.15 14.44 29.14 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.043 0.449 . . . . 75.0 110.399 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -84.94 153.49 22.79 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.773 -0.649 . . . . 75.0 110.754 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -78.65 -38.84 38.61 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.453 -0.794 . . . . 75.0 110.86 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -73.8 -21.05 60.29 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 114.939 -1.028 . . . . 50.0 112.267 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -89.54 -36.54 15.29 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.312 0.382 . . . . 75.0 111.257 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -55.52 -20.54 13.33 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.278 0.631 . . . . 75.0 112.644 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.92 -38.56 83.07 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 111.85 0.315 . . . . 50.0 111.85 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 1.6 mt -87.04 -27.83 22.96 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 123.174 0.296 . . . . 50.0 111.151 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 72.1 t -58.25 -39.18 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 109.517 -0.549 . . . . 50.0 109.517 170.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -75.24 -18.64 60.06 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.876 -1.056 . . . . 25.0 111.4 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -77.74 -38.03 47.89 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.249 -0.887 . . . . 75.0 110.368 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.25 -21.46 31.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.841 -0.618 . . . . 25.0 111.811 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -60.91 -29.87 69.85 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.919 0.488 . . . . 75.0 112.188 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -85.26 -40.13 16.95 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.791 -0.641 . . . . 75.0 111.613 -175.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.627 ' O ' ' HG2' ' A' ' 639' ' ' MET . 98.0 t -66.98 -26.08 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 116.186 -0.461 . . . . 50.0 112.052 -171.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -68.46 -35.52 77.68 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 122.8 0.44 . . . . 50.0 110.601 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -84.87 -21.96 54.28 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.874 -0.603 . . . . 50.0 113.269 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -77.28 -19.46 56.46 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 122.698 0.399 . . . . 50.0 110.701 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.627 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 39.4 mmt -78.19 -20.75 51.26 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.692 -0.686 . . . . 75.0 111.908 177.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.522 ' CD1' ' C ' ' A' ' 640' ' ' TYR . 0.0 OUTLIER -74.18 -31.87 62.84 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.897 -0.592 . . . . 50.0 111.309 -178.302 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.41 -21.94 24.01 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.262 -0.426 . . . . 75.0 111.77 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 92.7 p -92.79 -30.57 15.42 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.321 0.388 . . . . 50.0 112.022 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -99.24 143.01 29.99 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.207 0.317 . . . . 25.0 111.478 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -110.88 -10.17 14.42 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.889 -0.596 . . . . 75.0 111.867 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 67.6 m -132.26 158.78 40.92 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.361 -0.381 . . . . 75.0 110.628 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -72.01 -25.41 61.81 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.899 0.703 . . . . 50.0 112.899 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 99.1 m-20 -81.58 -24.33 36.56 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.241 0.338 . . . . 75.0 111.066 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -86.37 -39.21 16.65 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.312 0.383 . . . . 75.0 110.181 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -58.21 -50.73 72.53 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.405 0.682 . . . . 75.0 111.429 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -76.4 -16.12 59.78 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.169 0.803 . . . . 75.0 113.169 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . 0.44 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 86.1 t60 -83.23 -44.17 15.29 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 111.676 0.251 . . . . 50.0 111.676 -176.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.611 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 82.7 mt -54.64 -38.04 66.39 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.493 0.717 . . . . 50.0 112.615 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.439 HD23 HD13 ' A' ' 607' ' ' LEU . 95.0 mt -72.36 -34.74 68.2 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.711 -0.677 . . . . 75.0 111.677 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -72.52 -23.61 61.03 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.308 0.38 . . . . 25.0 110.875 174.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -72.56 -38.18 68.01 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.703 -0.681 . . . . 50.0 111.863 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -67.62 -28.62 67.89 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 109.856 -0.424 . . . . 75.0 109.856 173.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 26.3 mt -71.62 -28.4 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 115.286 -0.87 . . . . 50.0 110.79 -176.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -84.47 -37.42 21.37 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.136 -0.484 . . . . 75.0 110.693 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -75.56 -30.37 59.66 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 123.486 0.491 . . . . 75.0 112.156 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 75.3 mt -71.64 -28.98 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 N-CA-C 109.535 -0.543 . . . . 50.0 109.535 174.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -78.21 -19.58 53.53 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.477 -0.783 . . . . 50.0 112.143 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -80.56 -43.11 21.19 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.556 0.342 . . . . 75.0 111.455 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.91 -43.03 80.17 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.842 0.682 . . . . 50.0 112.842 -174.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.58 -22.25 61.5 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 112.104 0.409 . . . . 50.0 112.104 172.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 CA--C 1.542 0.646 0 C-N-CA 122.684 0.394 . . . . 75.0 111.055 178.222 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 112.22 0.452 . . . . 50.0 112.22 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.7 mt -87.24 -30.29 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 111.988 0.366 . . . . 50.0 111.988 -176.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -80.12 -10.99 59.8 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.905 0.706 . . . . 75.0 112.905 -175.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -102.1 0.94 35.67 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.271 -0.877 . . . . 75.0 109.515 173.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 87.5 mtp -98.75 -31.15 12.04 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.169 -0.923 . . . . 50.0 110.79 173.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -89.74 -19.97 24.13 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.082 0.553 . . . . 50.0 112.437 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -72.19 -24.73 61.46 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.225 0.21 . . . . 75.0 111.346 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 83.7 p -81.89 -29.39 32.44 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.512 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -79.12 -28.94 42.96 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.205 -0.452 . . . . 25.0 111.406 178.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 545' ' ' LEU . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 612' ' ' PHE . 87.4 mt -84.85 -14.75 46.99 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.696 -0.684 . . . . 50.0 111.148 174.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 44.8 tp -81.72 -30.14 32.63 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.64 -0.709 . . . . 75.0 111.258 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.4 p -76.0 -16.18 60.01 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.902 -0.59 . . . . 50.0 112.047 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -74.26 -21.75 59.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.997 0.519 . . . . 75.0 112.255 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 89.4 mt -90.74 -28.34 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 115.192 -0.913 . . . . 50.0 110.696 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 81.0 p -92.27 -41.85 10.17 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.521 -0.309 . . . . 50.0 111.783 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 37.7 p . . . . . 0 C--O 1.249 1.073 0 CA-C-O 117.985 -1.007 . . . . 50.0 110.979 179.762 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.591 0 N-CA-C 114.137 0.415 . . . . 50.0 114.137 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -84.45 -35.58 22.92 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.949 0.374 . . . . 50.0 111.299 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' HIS . . . . . 0.466 ' CD2' ' C ' ' A' ' 592' ' ' HIS . 1.7 t-160 -63.84 -38.42 91.03 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.608 0.763 . . . . 50.0 112.161 -177.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -88.35 -8.7 54.66 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.779 0.323 . . . . 50.0 111.588 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -96.9 -25.99 15.23 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.783 -0.644 . . . . 75.0 111.419 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . 0.507 HG11 HD21 ' A' ' 599' ' ' LEU . 32.3 t -82.34 136.28 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-O 120.884 0.374 . . . . 50.0 110.478 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.0 p -107.77 -179.93 4.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.434 -0.803 . . . . 25.0 111.573 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.09 -18.44 55.71 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.83 -0.623 . . . . 75.0 110.096 169.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -83.04 -25.41 32.15 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.765 -0.652 . . . . 50.0 111.252 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.507 HD21 HG11 ' A' ' 595' ' ' VAL . 38.0 tp -66.24 -50.96 61.99 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 122.907 0.129 . . . . 75.0 111.286 174.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -56.35 -31.25 63.59 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.065 0.546 . . . . 75.0 111.974 -175.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.6 p -77.97 -27.9 49.26 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.555 -0.748 . . . . 75.0 111.263 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -84.03 -20.91 31.93 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.05 -0.523 . . . . 50.0 110.681 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 50.5 mt -78.25 -36.13 47.28 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.429 0.691 . . . . 75.0 109.636 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 48.1 t -72.21 -37.59 59.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-N 114.85 -1.068 . . . . 50.0 110.604 171.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.618 ' HA ' HG21 ' A' ' 608' ' ' VAL . 85.9 t60 -72.3 -16.78 61.9 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.243 0.339 . . . . 50.0 110.482 175.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.83 -22.45 29.46 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.644 -0.707 . . . . 75.0 109.276 174.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 632' ' ' ALA . 3.8 tp -86.67 -45.04 11.36 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 114.198 -1.364 . . . . 75.0 111.518 -178.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.618 HG21 ' HA ' ' A' ' 605' ' ' HIS . 33.8 m -69.12 -26.54 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 123.583 0.753 . . . . 50.0 111.649 -177.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -81.68 -37.01 28.1 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.908 0.385 . . . . 75.0 110.686 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.35 72.47 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.249 -0.887 . . . . 25.0 111.719 175.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.555 HG21 HD21 ' A' ' 628' ' ' LEU . 91.7 mt -84.23 -49.45 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 109.533 -0.543 . . . . 75.0 109.533 176.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' A' ' 612' ' ' PHE . 26.2 p90 -141.32 106.85 6.09 Favored Pre-proline 0 CA--C 1.552 1.055 0 O-C-N 123.291 0.369 . . . . 50.0 110.599 174.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -75.98 139.41 21.81 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.444 2.096 . . . . 50.0 112.479 173.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 27.4 m -153.17 129.07 5.2 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 116.298 -0.41 . . . . 25.0 111.782 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -48.61 -58.04 1.99 Allowed 'Trans proline' 0 C--N 1.371 1.729 0 C-N-CA 123.827 3.018 . . . . 75.0 114.242 173.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -89.8 116.62 66.8 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.945 -0.57 . . . . 50.0 111.812 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -64.42 -10.41 23.96 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.791 2.327 . . . . 50.0 114.233 174.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.61 -10.87 59.81 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -177.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . 0.533 ' HB1' HD12 ' B' ' 545' ' ' LEU . . . -84.77 -14.77 47.17 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 111.908 0.336 . . . . 25.0 111.908 178.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 3.1 mt -85.2 3.9 37.14 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.067 -0.515 . . . . 50.0 112.173 -176.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -96.63 15.21 22.37 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.01 0.433 . . . . 75.0 110.994 -176.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -76.88 165.96 23.99 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.738 -0.664 . . . . 75.0 111.598 -174.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -71.74 -55.04 8.39 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 122.754 0.422 . . . . 75.0 111.923 -175.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -71.02 -19.74 62.47 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.02 0.528 . . . . 75.0 112.102 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.5 ttm -79.1 -36.83 40.08 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.603 0.361 . . . . 75.0 111.261 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -54.52 -20.23 7.38 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.67 0.989 . . . . 50.0 113.67 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -73.52 -31.84 63.91 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 122.438 0.295 . . . . 50.0 111.686 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.555 HD21 HG21 ' A' ' 611' ' ' ILE . 21.1 tp -86.2 -32.98 20.91 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 122.7 0.4 . . . . 50.0 110.485 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.62 -35.77 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.076 0.55 . . . . 50.0 110.144 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -80.6 -19.08 46.3 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.245 -0.889 . . . . 25.0 111.782 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -41.75 67.85 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.219 -0.446 . . . . 75.0 110.301 170.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . 0.422 ' HB3' HD22 ' A' ' 607' ' ' LEU . . . -83.33 -24.71 32.0 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.753 -177.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -73.74 -22.39 59.89 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.105 -0.498 . . . . 75.0 110.727 175.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -85.56 -36.08 20.67 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.213 -0.903 . . . . 75.0 111.561 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 39.7 t -73.8 -42.83 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 112.275 0.472 . . . . 50.0 112.275 -174.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -55.96 -31.85 63.33 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.762 0.825 . . . . 50.0 112.295 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -76.44 -19.15 78.51 Favored Glycine 0 C--N 1.344 0.983 0 O-C-N 123.38 0.425 . . . . 50.0 113.278 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -84.68 -19.47 32.78 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 122.666 0.386 . . . . 50.0 111.078 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.773 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 20.9 mtm -74.88 -20.85 59.56 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.231 0.456 . . . . 75.0 112.231 178.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -79.13 -32.08 44.34 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.202 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -89.1 -26.5 21.32 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.072 -0.513 . . . . 75.0 112.177 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 m -88.86 -46.38 8.98 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.207 0.447 . . . . 75.0 112.207 -174.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -83.77 153.08 24.31 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -114.22 -14.16 12.31 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.71 -0.677 . . . . 75.0 111.935 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.2 p -132.07 161.22 33.77 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.289 0.368 . . . . 50.0 110.438 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -74.36 -23.86 59.07 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.994 -0.548 . . . . 75.0 112.05 -174.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -81.3 -25.7 36.29 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.179 0.3 . . . . 50.0 111.472 176.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -85.58 -41.58 15.13 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.147 -0.479 . . . . 75.0 110.126 176.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . 0.432 ' HD1' ' O ' ' A' ' 639' ' ' MET . 79.1 t80 -56.98 -49.73 74.84 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.544 0.738 . . . . 75.0 111.29 178.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.415 ' OH ' HD23 ' A' ' 599' ' ' LEU . 19.0 m-30 -66.41 -15.64 63.47 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.957 0.725 . . . . 75.0 112.957 173.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -82.64 -42.99 17.49 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.231 0.456 . . . . 50.0 112.231 -175.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.53 -22.56 61.84 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.2 0.444 . . . . 75.0 112.2 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.773 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 1.0 OUTLIER -87.67 -36.28 17.52 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.897 0.479 . . . . 75.0 110.918 177.663 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.19 -21.9 60.58 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.943 -0.571 . . . . 25.0 111.5 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -75.17 -38.37 60.9 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.042 -0.526 . . . . 75.0 112.143 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -68.65 -28.05 66.54 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.542 -0.54 . . . . 75.0 109.542 172.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 17.7 mt -72.59 -41.38 63.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 115.535 -0.757 . . . . 50.0 110.711 -176.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -78.25 -26.3 47.17 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 120.957 0.408 . . . . 75.0 110.416 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -78.07 -35.28 49.71 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 115.145 -0.934 . . . . 50.0 112.215 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 96.7 mt -80.22 -31.68 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 110.248 -0.279 . . . . 50.0 110.248 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.16 -19.14 64.21 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.862 -0.608 . . . . 50.0 112.276 174.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.05 -41.55 95.07 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.076 0.55 . . . . 75.0 111.946 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -71.94 -39.85 69.15 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 123.389 0.431 . . . . 75.0 111.234 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.33 -21.45 65.66 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.929 -0.578 . . . . 50.0 112.296 173.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 122.781 0.432 . . . . 75.0 111.587 -176.647 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 89.7 p . . . . . 0 CA--C 1.536 0.41 0 N-CA-C 112.133 0.42 . . . . 50.0 112.133 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.0 mt -86.71 -45.0 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 112.329 0.492 . . . . 50.0 112.329 -172.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -76.73 -10.93 59.73 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.321 0.86 . . . . 50.0 113.321 -171.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -101.44 -17.55 16.41 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.583 -0.735 . . . . 75.0 109.749 174.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 39.3 mtp -83.45 -22.2 32.68 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.653 -0.703 . . . . 50.0 110.917 170.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -85.59 -31.78 22.44 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.522 -0.763 . . . . 50.0 112.274 -175.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 542' ' ' PHE . . . . . 0.415 ' O ' ' CD1' ' B' ' 542' ' ' PHE . 4.2 t80 -85.52 -19.04 31.77 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 112.586 0.587 . . . . 75.0 112.586 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.0 p -64.43 -22.39 66.94 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.186 0.594 . . . . 50.0 112.388 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -82.19 -23.06 35.67 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 545' ' ' LEU . . . . . 0.533 HD12 ' HB1' ' A' ' 619' ' ' ALA . 14.6 tp -81.94 -15.27 54.39 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.628 0.603 . . . . 50.0 112.628 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.0 mt -83.25 -33.26 26.08 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.02 0.438 . . . . 50.0 110.767 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.5 p -75.83 -16.52 60.07 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.185 -0.916 . . . . 75.0 112.354 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -83.12 -12.47 57.01 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.158 0.429 . . . . 75.0 112.158 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.0 mt -104.89 -32.16 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.86 -0.609 . . . . 50.0 110.381 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 85.7 p -95.82 -39.86 9.63 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.307 -0.406 . . . . 50.0 111.765 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 117.993 -1.003 . . . . 50.0 111.794 -179.483 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.857 0 N-CA-C 114.041 0.376 . . . . 50.0 114.041 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 30.1 p-90 -69.31 -31.79 70.49 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.588 0.588 . . . . 50.0 112.588 -177.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -13.14 60.58 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 116.395 -0.366 . . . . 50.0 111.549 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.36 -26.98 26.16 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.502 0.556 . . . . 50.0 112.502 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -106.68 -24.04 12.25 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.056 0.762 . . . . 50.0 113.056 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 53.5 t -77.07 127.36 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 120.978 0.418 . . . . 50.0 110.343 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 53.6 p -111.28 -175.14 2.63 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.171 -0.922 . . . . 25.0 111.437 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -72.38 -18.3 61.75 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.901 -0.591 . . . . 75.0 109.962 168.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -78.4 -36.03 46.31 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 115.754 -0.657 . . . . 75.0 112.021 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 50.5 tp -62.47 -48.75 78.25 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 111.457 0.169 . . . . 75.0 111.457 173.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -56.49 -30.13 62.6 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.105 0.562 . . . . 75.0 112.047 -175.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.8 p -78.53 -30.4 46.99 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.552 -0.749 . . . . 75.0 111.576 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -81.01 -21.21 40.38 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.038 0.447 . . . . 50.0 110.315 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.75 -32.58 60.05 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.179 0.992 . . . . 50.0 110.015 173.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 77.6 t -83.33 -30.9 8.28 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.022 -0.99 . . . . 50.0 110.832 176.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -75.85 -17.24 59.89 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.661 0.384 . . . . 50.0 110.474 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -85.14 -25.52 27.41 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 122.059 0.933 . . . . 75.0 108.893 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 49.0 tp -87.12 -40.16 14.9 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 113.194 -1.821 . . . . 75.0 111.512 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 42.5 t -74.72 -22.63 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.173 0.589 . . . . 50.0 111.549 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -83.43 -25.72 31.0 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.551 0.215 . . . . 75.0 111.352 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -79.01 -27.84 43.29 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.385 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.516 HG12 HG23 ' A' ' 660' ' ' ILE . 89.2 mt -81.19 -51.89 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 109.101 -0.703 . . . . 75.0 109.101 176.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.473 ' CG ' HD12 ' B' ' 545' ' ' LEU . 68.6 t80 -145.04 113.69 4.91 Favored Pre-proline 0 CA--C 1.549 0.912 0 CA-C-N 116.176 -0.466 . . . . 50.0 110.117 171.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -65.77 135.13 40.32 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.347 2.031 . . . . 50.0 112.139 173.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.65 114.78 56.55 Favored Pre-proline 0 C--O 1.236 0.371 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 -175.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -61.56 -51.97 3.61 Favored 'Trans proline' 0 C--N 1.369 1.657 0 C-N-CA 123.359 2.706 . . . . 75.0 112.591 166.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -107.66 124.33 35.28 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 114.895 -1.048 . . . . 50.0 111.429 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -61.93 -9.99 16.1 Favored 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 123.109 2.539 . . . . 50.0 114.096 174.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.72 -7.99 57.3 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.808 0.67 . . . . 25.0 112.808 -177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.2 -8.28 59.5 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 80.3 mt -84.14 -4.88 59.1 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.337 0.495 . . . . 75.0 112.337 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -107.42 14.72 25.64 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.84 0.353 . . . . 75.0 111.366 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -83.61 166.05 18.51 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.135 -0.484 . . . . 75.0 111.37 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -71.72 -54.71 9.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.948 0.499 . . . . 75.0 111.449 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -68.79 -29.74 68.17 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.773 0.656 . . . . 50.0 112.773 -177.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.2 tpt -77.76 -38.65 46.44 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.367 0.267 . . . . 75.0 111.677 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -56.71 -19.89 19.04 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.09 0.556 . . . . 75.0 112.205 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.55 -38.03 80.46 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.568 0.581 . . . . 50.0 112.568 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 94.4 mt -86.47 -30.47 22.0 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 120.445 0.164 . . . . 50.0 110.907 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.489 ' O ' ' HG3' ' A' ' 633' ' ' LYS . 74.5 t -56.34 -34.18 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 109.563 -0.532 . . . . 50.0 109.563 170.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -77.44 -18.64 57.02 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 114.869 -1.06 . . . . 25.0 111.42 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -74.54 -41.84 59.89 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.688 0.395 . . . . 75.0 110.27 169.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -81.8 -25.53 35.16 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.938 -0.573 . . . . 25.0 112.397 -173.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 629' ' ' VAL . 24.2 mttt -69.58 -27.09 64.82 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.695 0.628 . . . . 75.0 112.695 -176.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm -82.23 -35.44 28.19 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.816 0.446 . . . . 75.0 111.401 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.459 HG12 ' HD2' ' A' ' 656' ' ' LYS . 78.6 t -70.03 -46.26 73.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 115.567 -0.742 . . . . 50.0 112.59 -168.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.551 ' HA ' ' HE2' ' A' ' 639' ' ' MET . 2.6 pp20? -55.66 -30.86 61.75 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.43 0.692 . . . . 50.0 112.135 -175.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -80.13 -19.48 69.56 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 116.287 -0.415 . . . . 50.0 113.141 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -84.98 -19.74 31.62 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 122.745 0.418 . . . . 50.0 110.968 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.696 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 45.1 mtm -73.56 -20.85 60.52 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.154 0.427 . . . . 75.0 112.154 177.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.566 ' CD1' ' C ' ' A' ' 640' ' ' TYR . 0.0 OUTLIER -78.6 -31.87 47.3 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.746 0.418 . . . . 50.0 111.857 -176.31 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . 0.46 ' HG2' ' CE2' ' A' ' 640' ' ' TYR . 3.3 mm-40 -88.25 -22.71 23.8 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.322 0.389 . . . . 75.0 111.957 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 29.9 m -90.57 -44.82 9.31 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.049 0.388 . . . . 50.0 112.049 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.56 159.89 16.23 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.318 0.386 . . . . 25.0 111.978 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -120.08 -19.77 7.67 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.926 -0.579 . . . . 50.0 111.475 -178.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 80.1 p -132.0 159.07 39.83 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.323 0.249 . . . . 75.0 110.641 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 8.1 ptt-85 -68.76 -19.59 64.33 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.019 0.748 . . . . 50.0 113.019 -175.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 79.0 m-20 -81.21 -30.39 34.29 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 123.211 0.319 . . . . 75.0 110.73 177.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -86.39 -45.53 11.1 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 123.413 0.446 . . . . 75.0 110.37 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . 0.408 ' HD2' ' CD1' ' A' ' 650' ' ' TYR . 83.6 t80 -55.85 -52.03 65.47 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.678 0.791 . . . . 75.0 111.488 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.408 ' CD1' ' HD2' ' A' ' 649' ' ' TYR . 16.9 m-30 -64.28 -15.61 60.51 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.936 0.717 . . . . 75.0 112.936 173.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 1.2 t60 -83.42 -42.78 16.59 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.23 0.456 . . . . 50.0 112.23 -175.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.26 -23.79 62.67 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 112.31 0.485 . . . . 75.0 112.31 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.696 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -87.26 -34.94 18.76 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 122.774 0.43 . . . . 75.0 110.549 177.305 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -72.28 -22.35 61.23 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.848 -0.615 . . . . 25.0 111.325 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -76.39 -36.74 57.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.871 -0.604 . . . . 75.0 112.205 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.459 ' HD2' HG12 ' A' ' 635' ' ' VAL . 57.3 mttp -71.3 -26.25 62.78 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.368 -0.604 . . . . 75.0 109.368 172.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 6.4 mt -71.89 -30.0 35.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 115.27 -0.877 . . . . 50.0 110.425 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -84.4 -33.44 23.76 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.211 -0.45 . . . . 75.0 111.093 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -77.53 -30.36 52.81 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 112.253 0.464 . . . . 75.0 112.253 -177.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.516 HG23 HG12 ' A' ' 611' ' ' ILE . 90.9 mt -76.94 -29.64 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 109.794 -0.447 . . . . 50.0 109.794 176.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -70.8 -19.65 62.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.489 -0.778 . . . . 50.0 111.85 172.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -79.29 -40.72 29.75 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.776 0.43 . . . . 75.0 112.107 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -69.12 -41.69 77.05 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.605 0.594 . . . . 50.0 112.605 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 68.2 mt -60.0 -21.15 60.92 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 112.486 0.55 . . . . 50.0 112.486 173.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 . . . . . 0 N--CA 1.472 0.642 0 C-N-CA 122.518 0.327 . . . . 50.0 111.479 177.043 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 87.4 p . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 120.668 0.271 . . . . 50.0 110.718 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.54 -32.06 6.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 115.677 -0.692 . . . . 50.0 110.938 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.77 -11.19 59.11 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.879 0.696 . . . . 50.0 112.879 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -99.03 -11.76 21.2 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.564 -0.744 . . . . 75.0 109.92 174.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 97.7 mtp -94.4 -27.57 15.98 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.569 -0.741 . . . . 50.0 110.995 172.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 541' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 84.1 m-20 -89.45 -19.61 24.92 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.536 -0.757 . . . . 50.0 111.608 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -72.33 -28.13 62.87 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 122.975 0.172 . . . . 75.0 111.243 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 99.4 p -81.93 -23.94 35.89 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.4 0.438 . . . . 50.0 111.659 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.35 -22.61 30.49 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.164 0.431 . . . . 25.0 112.164 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 545' ' ' LEU . . . . . 0.473 HD12 ' CG ' ' A' ' 612' ' ' PHE . 85.7 mt -83.18 -18.2 40.19 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.321 0.489 . . . . 50.0 112.321 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.2 mt -84.55 -28.86 26.35 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.944 0.402 . . . . 50.0 110.805 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.6 p -75.89 -15.57 60.18 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.257 -0.883 . . . . 75.0 112.348 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -69.02 -14.09 62.83 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 112.902 0.705 . . . . 75.0 112.902 -176.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 78.9 mt -104.73 -25.23 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 112.278 0.473 . . . . 50.0 112.278 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 85.7 p -95.06 -41.45 9.12 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.177 0.298 . . . . 50.0 111.683 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--O 1.253 1.265 0 CA-C-O 118.699 -0.667 . . . . 50.0 111.01 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.511 0 N-CA-C 114.703 0.641 . . . . 50.0 114.703 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -68.15 -33.13 73.9 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.14 0.576 . . . . 50.0 112.535 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.19 -12.91 60.4 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.325 0.25 . . . . 50.0 111.155 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -81.97 -21.52 37.12 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.132 -0.485 . . . . 75.0 111.899 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -115.13 -24.13 8.68 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.752 0.649 . . . . 50.0 112.752 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . 0.436 HG21 ' HE2' ' A' ' 649' ' ' TYR . 77.7 t -80.44 125.24 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-O 121.042 0.449 . . . . 50.0 110.038 178.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 73.2 p -112.45 -175.61 2.72 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.074 -0.966 . . . . 25.0 111.164 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -75.29 -18.25 60.1 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.069 -0.514 . . . . 75.0 110.308 168.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -84.6 -36.03 22.31 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 115.881 -0.599 . . . . 75.0 112.246 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.63 -46.9 87.81 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 117.761 0.255 . . . . 75.0 111.472 176.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.506 ' HG2' ' HH ' ' A' ' 640' ' ' TYR . 23.9 mtp180 -55.43 -29.5 58.73 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.11 0.564 . . . . 75.0 111.999 -176.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 83.5 p -78.19 -32.17 49.89 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.507 -0.769 . . . . 75.0 111.798 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -82.97 -21.62 33.93 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.633 0.373 . . . . 50.0 110.711 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.566 ' CD1' ' HH ' ' A' ' 649' ' ' TYR . 37.5 mt -71.52 -31.59 67.22 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.772 0.829 . . . . 50.0 110.239 173.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 28.0 t -83.4 -33.55 10.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 115.098 -0.955 . . . . 50.0 110.869 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.527 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 80.1 t60 -74.94 -16.81 60.63 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 122.61 0.364 . . . . 50.0 110.789 176.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -85.76 -27.81 24.98 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 122.134 0.969 . . . . 75.0 108.671 176.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 14.3 tp -87.08 -37.97 16.93 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 113.017 -1.901 . . . . 75.0 111.619 -175.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 77.6 t -75.93 -24.76 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.163 0.585 . . . . 50.0 111.279 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 99.6 mm-40 -83.65 -25.81 30.44 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.491 0.186 . . . . 75.0 111.313 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -76.41 -31.86 58.18 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 116.036 -0.529 . . . . 25.0 111.275 174.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.553 HG12 HG23 ' A' ' 660' ' ' ILE . 88.5 mt -78.81 -56.46 7.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 N-CA-C 109.527 -0.545 . . . . 75.0 109.527 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.429 ' CG ' HD13 ' B' ' 545' ' ' LEU . 69.4 t80 -142.85 110.94 5.66 Favored Pre-proline 0 CA--C 1.547 0.841 0 O-C-N 123.328 0.392 . . . . 50.0 110.301 172.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -68.45 134.81 31.92 Favored 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 122.28 1.987 . . . . 50.0 112.215 173.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.02 113.28 64.91 Favored Pre-proline 0 C--O 1.236 0.352 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 -177.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -59.96 -51.6 5.54 Favored 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 123.416 2.744 . . . . 75.0 112.634 167.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -107.06 123.19 39.16 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 114.813 -1.085 . . . . 50.0 111.098 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -60.83 -10.47 14.59 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 123.004 2.469 . . . . 50.0 114.25 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.24 -8.28 56.72 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.48 -17.72 47.67 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.724 0.41 . . . . 25.0 112.017 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 90.7 mt -81.19 2.4 27.87 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.222 -0.444 . . . . 50.0 112.159 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -101.49 14.58 31.53 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.111 0.481 . . . . 75.0 110.784 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.29 153.41 20.91 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.594 -0.73 . . . . 75.0 110.776 -177.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 14.4 mmp_? -79.66 -37.48 35.82 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.3 -0.864 . . . . 75.0 110.76 -176.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.431 ' CZ ' ' HB1' ' B' ' 544' ' ' ALA . 62.6 mtm180 -72.59 -28.03 62.54 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 114.816 -1.084 . . . . 50.0 112.049 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -80.9 -37.08 30.29 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 122.572 0.349 . . . . 75.0 111.063 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.33 -20.31 18.42 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.426 0.691 . . . . 75.0 112.446 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -70.84 -35.81 72.6 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 112.572 0.582 . . . . 50.0 112.572 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 96.0 mt -86.44 -29.75 22.59 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 110.482 -0.192 . . . . 50.0 110.482 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.47 -32.33 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 122.869 0.468 . . . . 50.0 109.834 170.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -80.59 -19.25 45.95 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 114.95 -1.023 . . . . 25.0 111.525 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -74.13 -41.74 61.11 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.858 0.463 . . . . 75.0 110.112 169.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -79.33 -37.86 36.58 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.053 -0.521 . . . . 25.0 111.941 -174.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -66.31 -21.49 66.26 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.145 0.578 . . . . 75.0 111.037 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -86.24 -37.23 18.82 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.206 -0.906 . . . . 75.0 112.217 -177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.508 HG11 ' HD2' ' A' ' 656' ' ' LYS . 25.5 t -67.53 -48.07 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 N-CA-C 113.487 0.921 . . . . 50.0 113.487 -168.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -63.78 -21.58 66.49 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 112.937 0.717 . . . . 50.0 112.937 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -72.37 -26.33 72.23 Favored Glycine 0 C--N 1.344 0.985 0 O-C-N 123.207 0.317 . . . . 50.0 112.687 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -87.53 -19.04 28.45 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 122.936 0.494 . . . . 50.0 110.739 176.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.595 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 31.9 mmt -70.35 -26.01 63.55 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.718 0.636 . . . . 75.0 112.718 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.506 ' HH ' ' HG2' ' A' ' 600' ' ' ARG . 68.0 m-85 -78.08 -25.1 47.46 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.48 -0.327 . . . . 50.0 111.271 -177.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -88.94 -23.34 22.71 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.243 -0.435 . . . . 75.0 111.834 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 55.1 p -96.12 -39.1 9.88 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.324 0.49 . . . . 50.0 112.324 -176.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -89.66 153.79 20.46 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.714 0.264 . . . . 25.0 111.714 -177.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -121.73 -14.11 8.19 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.91 -0.586 . . . . 50.0 111.147 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 51.5 p -131.97 165.48 23.85 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.628 -0.26 . . . . 50.0 110.848 -176.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -68.97 -31.82 70.95 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.075 0.55 . . . . 50.0 111.705 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 98.9 m-20 -80.73 -23.69 39.29 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.053 0.39 . . . . 50.0 112.053 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -86.44 -38.29 17.48 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.945 -0.391 . . . . 75.0 109.945 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . 0.566 ' HH ' ' CD1' ' A' ' 603' ' ' LEU . 0.8 OUTLIER -58.97 -54.73 43.8 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.067 0.547 . . . . 75.0 111.316 177.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -72.1 -21.48 61.48 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.809 1.04 . . . . 75.0 113.809 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 1.3 m-70 -81.3 -34.23 32.08 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 111.71 0.263 . . . . 75.0 111.71 -177.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.595 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 72.3 mt -61.99 -38.2 87.72 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.392 0.677 . . . . 50.0 112.295 175.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.62 -30.29 61.6 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.935 -0.575 . . . . 75.0 112.312 173.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.433 ' O ' ' CD1' ' A' ' 658' ' ' TYR . . . -78.38 -27.0 46.78 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -76.18 -30.88 58.24 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.233 0.456 . . . . 75.0 112.233 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.508 ' HD2' HG11 ' A' ' 635' ' ' VAL . 23.5 mttm -69.93 -28.67 65.77 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.324 -0.621 . . . . 75.0 109.324 171.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 3.5 mt -67.68 -32.0 54.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 114.964 -1.016 . . . . 50.0 110.698 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 654' ' ' ALA . 60.7 m-85 -85.56 -34.43 21.48 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.284 -0.416 . . . . 75.0 111.461 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -71.78 -33.7 68.82 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.437 0.532 . . . . 75.0 112.437 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.553 HG23 HG12 ' A' ' 611' ' ' ILE . 96.8 mt -74.12 -28.69 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 116.105 -0.498 . . . . 50.0 109.849 177.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -70.37 -19.8 63.0 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.38 -0.827 . . . . 50.0 111.917 171.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 665' ' ' GLU . 30.2 ttpt -81.09 -38.08 27.89 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.973 0.509 . . . . 75.0 112.243 178.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -70.31 -41.1 73.74 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 122.982 0.513 . . . . 50.0 112.261 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.19 -21.62 66.33 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 116.066 -0.515 . . . . 50.0 112.28 172.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . 0.507 ' HB2' ' O ' ' A' ' 662' ' ' LYS . 12.5 mm-40 . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 122.875 0.47 . . . . 75.0 111.091 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 65.1 p . . . . . 0 N--CA 1.467 0.38 0 CA-C-O 120.84 0.352 . . . . 75.0 110.735 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.5 mt -86.63 -32.4 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-N 115.305 -0.861 . . . . 50.0 110.926 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -82.26 -11.82 58.42 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.879 0.696 . . . . 50.0 112.879 -177.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -102.09 -7.69 22.07 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.406 -0.815 . . . . 75.0 109.528 174.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 49.6 ttm -95.21 -32.07 13.21 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.029 -0.987 . . . . 75.0 109.858 174.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 541' ' ' ASP . . . . . 0.476 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 98.5 m-20 -88.34 -19.75 26.26 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.268 -0.878 . . . . 50.0 111.927 -177.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -71.67 -26.25 62.45 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.418 0.152 . . . . 75.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 95.0 p -81.9 -26.45 34.1 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.132 -0.485 . . . . 50.0 111.577 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 544' ' ' ALA . . . . . 0.431 ' HB1' ' CZ ' ' A' ' 624' ' ' ARG . . . -84.23 -22.84 30.69 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.282 -0.417 . . . . 25.0 111.814 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 545' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 71.0 mt -80.16 -15.86 56.15 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.119 -0.491 . . . . 50.0 112.311 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 95.6 mt -81.29 -26.22 35.88 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 121.05 0.452 . . . . 50.0 110.626 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 60.6 p -75.83 -15.73 60.19 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.104 -0.953 . . . . 50.0 112.116 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -70.37 -12.9 61.89 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.085 0.772 . . . . 75.0 113.085 -176.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 40.9 pt -104.81 -17.81 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 112.365 0.505 . . . . 75.0 112.365 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 78.5 p -98.87 -40.53 8.05 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.538 -0.301 . . . . 50.0 111.303 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 C--O 1.252 1.188 0 CA-C-O 118.836 -0.602 . . . . 50.0 110.894 -179.893 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.871 0 N-CA-C 114.142 0.417 . . . . 50.0 114.142 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -68.0 -32.61 73.11 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.59 0.589 . . . . 50.0 112.59 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -73.35 -18.94 61.12 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.598 -0.274 . . . . 50.0 111.587 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -75.28 -29.1 60.01 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.675 0.62 . . . . 50.0 112.675 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -107.87 -24.74 11.53 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.954 0.724 . . . . 50.0 112.954 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 53.5 t -78.98 126.85 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 109.738 -0.467 . . . . 50.0 109.738 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.527 ' HG1' ' HB2' ' A' ' 598' ' ' ASP . 73.3 p -111.16 -175.42 2.7 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.387 -0.824 . . . . 25.0 111.757 -174.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -73.12 -17.34 61.41 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.461 -0.79 . . . . 75.0 110.036 169.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . 0.527 ' HB2' ' HG1' ' A' ' 596' ' ' THR . 97.9 m-20 -84.48 -31.15 24.69 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.862 -0.608 . . . . 50.0 111.523 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 7.8 mt -66.52 -49.25 67.15 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 117.752 0.251 . . . . 75.0 111.302 173.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 81.3 mtp85 -54.43 -25.56 25.58 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 112.558 0.577 . . . . 75.0 112.558 -176.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 86.1 p -84.89 -35.07 22.42 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.996 -0.547 . . . . 75.0 111.621 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -77.33 -25.57 51.27 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.84 0.456 . . . . 50.0 111.335 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 47.8 mt -69.72 -31.62 69.72 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.787 0.835 . . . . 50.0 110.892 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.493 ' HA ' HD11 ' A' ' 607' ' ' LEU . 96.7 t -83.12 -27.23 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.38 1.072 . . . . 50.0 110.276 175.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -78.56 -16.91 56.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.069 -0.514 . . . . 50.0 109.859 171.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -81.37 -26.63 35.36 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.272 -0.876 . . . . 75.0 108.813 174.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.64 HD13 ' HB1' ' A' ' 632' ' ' ALA . 0.5 OUTLIER -78.06 -57.88 3.56 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 113.896 -1.502 . . . . 50.0 110.746 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 71.2 t -61.15 -24.85 34.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 C-N-CA 123.683 0.793 . . . . 50.0 111.631 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -83.76 -36.17 23.81 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.686 0.395 . . . . 75.0 110.45 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -74.75 -23.31 58.53 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.082 -0.508 . . . . 25.0 111.775 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.495 HG12 HD12 ' A' ' 660' ' ' ILE . 80.4 mt -87.44 -54.25 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 116.066 -0.515 . . . . 75.0 109.964 178.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.538 ' CD2' HD12 ' B' ' 545' ' ' LEU . 87.9 t80 -139.69 116.11 8.26 Favored Pre-proline 0 CA--C 1.548 0.896 0 O-C-N 123.217 0.323 . . . . 50.0 110.469 176.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -62.3 138.1 69.65 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.405 2.07 . . . . 50.0 112.335 173.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 37.0 m -92.35 114.4 62.17 Favored Pre-proline 0 CA--C 1.534 0.357 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -174.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -63.97 -56.36 0.49 Allowed 'Trans proline' 0 C--N 1.368 1.563 0 C-N-CA 123.444 2.763 . . . . 75.0 112.757 167.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -127.11 140.36 37.63 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 115.295 -0.866 . . . . 75.0 111.515 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -59.84 -13.3 21.82 Favored 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 123.966 3.111 . . . . 50.0 114.292 174.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -85.79 -19.91 30.01 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.346 0.499 . . . . 25.0 112.346 -178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -67.03 -9.44 39.12 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.794 0.664 . . . . 25.0 112.794 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 97.0 mt -86.48 0.51 54.08 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.225 0.454 . . . . 75.0 112.225 -175.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -103.12 14.76 31.05 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.154 0.502 . . . . 75.0 110.494 -177.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -84.08 149.87 25.94 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.606 -0.724 . . . . 75.0 111.028 -177.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -75.13 -46.19 35.99 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.069 -0.969 . . . . 75.0 111.675 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -65.21 -19.57 66.03 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.685 0.624 . . . . 50.0 112.685 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 10.0 ttt -86.82 -41.43 14.07 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.732 0.271 . . . . 75.0 111.732 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -57.48 -20.01 28.17 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.409 0.892 . . . . 50.0 113.409 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -69.47 -33.91 73.58 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.232 0.456 . . . . 50.0 112.232 178.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.537 ' O ' ' HB2' ' A' ' 631' ' ' TYR . 31.9 mt -86.77 -30.08 21.85 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 110.52 -0.178 . . . . 50.0 110.52 176.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 65.0 t -53.92 -40.59 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 N-CA-C 109.55 -0.537 . . . . 50.0 109.55 171.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -70.99 -19.76 62.5 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.896 -1.047 . . . . 25.0 111.692 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . 0.537 ' HB2' ' O ' ' A' ' 628' ' ' LEU . 16.9 m-30 -75.97 -31.58 59.08 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.888 -0.597 . . . . 75.0 110.527 171.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . 0.64 ' HB1' HD13 ' A' ' 607' ' ' LEU . . . -84.05 -32.28 24.93 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.282 -0.417 . . . . 25.0 111.706 177.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.67 -25.17 67.83 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 120.944 0.402 . . . . 75.0 111.18 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -85.35 -36.61 20.65 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.378 -0.828 . . . . 75.0 111.718 -176.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.544 ' O ' ' HG3' ' A' ' 639' ' ' MET . 34.0 m -76.7 -25.96 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 112.075 0.398 . . . . 50.0 112.075 -175.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -81.78 -35.17 29.88 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.711 0.404 . . . . 75.0 111.372 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -84.33 -19.82 59.86 Favored Glycine 0 C--N 1.343 0.937 0 O-C-N 123.249 0.343 . . . . 50.0 113.584 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -87.52 -19.07 28.42 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.564 0.345 . . . . 50.0 111.302 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.649 ' SD ' ' HG ' ' A' ' 653' ' ' LEU . 65.1 mtt -78.61 -20.9 49.36 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.52 0.563 . . . . 75.0 112.52 -177.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 640' ' ' TYR . 0.0 OUTLIER -73.44 -25.43 60.51 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.767 0.427 . . . . 50.0 111.068 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.53 -24.0 23.03 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.075 -0.511 . . . . 75.0 111.831 178.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 87.1 p -95.78 -33.42 12.28 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.442 -0.345 . . . . 75.0 111.928 -176.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -91.13 146.0 24.21 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.192 0.307 . . . . 25.0 111.499 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -107.09 -18.26 13.95 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.038 -0.528 . . . . 50.0 111.162 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 80.1 p -131.98 161.48 33.03 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.407 -0.36 . . . . 75.0 110.717 -176.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 52.1 ptt85 -73.03 -22.17 60.68 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.862 -0.608 . . . . 75.0 111.727 -177.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -81.06 -27.75 35.59 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.276 0.36 . . . . 75.0 111.246 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -85.67 -41.69 14.95 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.623 0.369 . . . . 75.0 110.078 176.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -56.12 -48.79 75.52 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.374 0.669 . . . . 75.0 111.349 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -74.61 -16.81 60.78 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.888 0.699 . . . . 75.0 112.888 177.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -84.71 -37.52 20.83 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.171 0.188 . . . . 50.0 111.293 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.28 -41.29 93.01 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.609 0.764 . . . . 50.0 112.384 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.649 ' HG ' ' SD ' ' A' ' 639' ' ' MET . 0.3 OUTLIER -71.92 -33.19 68.09 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.135 -0.484 . . . . 75.0 112.293 175.042 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.39 -29.72 57.23 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -77.32 -25.23 51.0 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.232 0.456 . . . . 75.0 112.232 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -72.07 -31.18 65.87 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 109.144 -0.687 . . . . 75.0 109.144 169.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 7.8 mt -67.04 -36.26 76.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 114.647 -1.161 . . . . 50.0 111.21 -177.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . 0.418 ' O ' ' HB2' ' A' ' 661' ' ' GLN . 21.1 m-30 -81.12 -28.67 35.06 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.538 0.524 . . . . 75.0 111.267 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -76.55 -22.0 54.92 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 116.317 -0.401 . . . . 75.0 111.161 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.495 HD12 HG12 ' A' ' 611' ' ' ILE . 63.8 mt -81.56 -22.52 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 108.581 -0.896 . . . . 50.0 108.581 173.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 658' ' ' TYR . 71.7 mt-30 -72.92 -38.0 67.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.089 -0.96 . . . . 75.0 112.274 176.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -64.15 -40.1 95.42 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.396 -0.82 . . . . 75.0 112.749 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -70.22 -40.79 74.31 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.494 0.553 . . . . 50.0 112.494 -175.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 99.7 mt -64.3 -18.58 64.74 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 113.017 0.747 . . . . 50.0 113.017 173.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 113.238 0.829 . . . . 50.0 113.238 -176.705 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.6 p . . . . . 0 N--CA 1.466 0.355 0 CA-C-O 120.765 0.317 . . . . 75.0 111.33 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 537' ' ' ILE . . . . . 0.469 HG22 HD21 ' A' ' 628' ' ' LEU . 80.2 mt -86.57 -29.94 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 115.671 -0.695 . . . . 50.0 111.465 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.77 -11.3 59.06 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.018 0.747 . . . . 50.0 113.018 -176.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -100.58 -11.03 20.41 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.674 -0.694 . . . . 75.0 109.855 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 81.0 mmm -93.72 -28.66 15.81 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.307 -0.86 . . . . 50.0 110.745 173.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -91.64 -19.53 22.59 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.595 -0.729 . . . . 50.0 111.731 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -74.93 -27.25 60.13 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.474 0.178 . . . . 75.0 111.136 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 84.6 p -81.7 -24.21 36.33 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.833 0.453 . . . . 50.0 111.386 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -79.94 -28.37 39.69 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.325 0.391 . . . . 25.0 111.398 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 545' ' ' LEU . . . . . 0.538 HD12 ' CD2' ' A' ' 612' ' ' PHE . 96.0 mt -84.23 -20.64 31.94 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.811 -0.631 . . . . 50.0 111.153 174.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' B' ' 546' ' ' LEU . 9.3 mt -76.78 -28.66 55.75 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.643 -0.708 . . . . 75.0 110.712 177.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.5 p -76.59 -15.75 59.76 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.573 -0.739 . . . . 50.0 111.991 175.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -71.95 -14.34 61.89 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.083 0.771 . . . . 75.0 113.083 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 42.9 pt -104.93 -27.92 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 112.21 0.448 . . . . 50.0 112.21 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 91.4 p -96.17 -35.54 11.27 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.556 -0.293 . . . . 50.0 111.726 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 59.7 p . . . . . 0 C--O 1.249 1.068 0 CA-C-O 117.995 -1.002 . . . . 50.0 110.903 179.832 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.818 0 N-CA-C 114.687 0.635 . . . . 50.0 114.687 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 591' ' ' TRP . . . . . 0.404 ' O ' HG23 ' A' ' 595' ' ' VAL . 46.2 p-90 -63.41 -35.19 79.58 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.168 0.803 . . . . 50.0 113.168 -177.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -13.13 61.55 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.075 0.234 . . . . 50.0 111.555 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -83.33 -24.69 32.0 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.128 0.418 . . . . 75.0 112.128 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -112.29 -24.36 9.85 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.925 0.713 . . . . 50.0 112.925 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 591' ' ' TRP . 89.9 t -79.07 124.02 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 109.706 -0.479 . . . . 50.0 109.706 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 70.3 p -113.61 -174.06 2.39 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.222 -0.899 . . . . 25.0 111.74 -177.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -74.95 -17.81 60.49 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.417 -0.81 . . . . 50.0 110.05 169.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -84.0 -36.59 23.04 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.547 -0.751 . . . . 50.0 111.466 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.99 -41.43 97.51 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.951 0.352 . . . . 75.0 111.951 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -64.25 -23.85 67.46 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 112.174 0.435 . . . . 75.0 112.174 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 86.2 p -84.46 -35.03 23.3 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.228 -0.442 . . . . 75.0 111.746 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -75.49 -34.2 60.84 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.787 0.435 . . . . 50.0 110.969 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.38 -25.54 66.01 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.314 0.646 . . . . 75.0 112.653 171.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 11.6 t -83.09 -27.84 7.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 115.756 -0.656 . . . . 50.0 110.171 172.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -78.13 -16.64 57.76 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.144 -0.48 . . . . 50.0 110.027 171.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -82.78 -29.67 29.46 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.038 -0.983 . . . . 75.0 108.762 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 23.1 tp -88.1 -38.74 15.15 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 113.114 -1.857 . . . . 75.0 111.905 -175.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 34.5 t -74.88 -22.08 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.26 0.624 . . . . 50.0 111.319 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -82.32 -25.89 33.51 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.663 0.268 . . . . 75.0 111.213 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -79.59 -22.42 43.76 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.743 -0.662 . . . . 25.0 111.47 174.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 87.3 mt -88.02 -59.44 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 109.745 -0.465 . . . . 75.0 109.745 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.471 ' CG ' HD11 ' B' ' 545' ' ' LEU . 80.1 t80 -139.64 102.39 7.15 Favored Pre-proline 0 CA--C 1.547 0.843 0 O-C-N 123.271 0.357 . . . . 50.0 110.442 176.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -82.55 140.83 10.81 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 122.183 1.922 . . . . 50.0 112.712 173.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.0 t -155.04 128.6 4.45 Favored Pre-proline 0 CA--C 1.544 0.745 0 CA-C-N 116.203 -0.453 . . . . 25.0 112.196 -177.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -50.48 -54.9 4.68 Favored 'Trans proline' 0 C--N 1.372 1.781 0 C-N-CA 124.074 3.182 . . . . 75.0 114.312 172.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -72.14 117.08 55.21 Favored Pre-proline 0 N--CA 1.473 0.688 0 CA-C-N 115.588 -0.733 . . . . 50.0 112.477 -176.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.4 -10.32 25.64 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.764 2.31 . . . . 50.0 113.989 173.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.31 -11.91 60.16 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.903 0.705 . . . . 25.0 112.903 -176.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.54 -16.08 46.85 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.007 0.373 . . . . 25.0 112.007 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.89 -1.92 57.76 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.115 -0.493 . . . . 75.0 112.04 -176.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -107.73 14.51 25.49 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.105 0.479 . . . . 75.0 110.491 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -82.72 162.7 21.69 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.854 -0.612 . . . . 75.0 110.869 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -78.39 -42.46 30.2 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.879 -0.6 . . . . 75.0 110.853 -176.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -74.21 -21.02 59.98 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 114.944 -1.025 . . . . 75.0 111.639 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 3.0 tpp -88.1 -37.26 16.38 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.388 -0.369 . . . . 75.0 111.05 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -56.86 -20.43 22.86 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 123.286 0.634 . . . . 75.0 112.364 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -69.56 -37.32 76.98 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.31 0.485 . . . . 50.0 112.31 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 23.2 mt -86.73 -28.4 23.09 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 121.271 -0.172 . . . . 50.0 110.761 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 54.5 t -56.88 -34.4 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 122.924 0.489 . . . . 50.0 109.858 171.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -83.46 -18.82 37.3 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.935 -1.03 . . . . 25.0 111.309 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -78.3 -35.68 47.5 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.528 -0.76 . . . . 75.0 110.383 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -83.2 -32.01 26.77 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.117 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -69.42 -19.3 63.79 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.721 -0.672 . . . . 75.0 110.631 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.83 -41.59 20.85 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.284 -0.871 . . . . 75.0 111.218 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 77.2 t -71.44 -43.84 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.02 0.378 . . . . 50.0 112.02 -174.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 1.011 ' HA ' ' HE3' ' A' ' 639' ' ' MET . 1.9 pp20? -54.01 -30.32 47.01 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.692 0.797 . . . . 50.0 112.197 -177.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . 0.43 ' O ' ' HD2' ' A' ' 640' ' ' TYR . . . -80.67 -19.62 67.83 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 116.308 -0.405 . . . . 50.0 113.419 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -85.45 -19.16 31.7 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.592 0.357 . . . . 75.0 111.802 178.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 1.011 ' HE3' ' HA ' ' A' ' 636' ' ' GLU . 68.3 mtm -70.87 -22.47 62.28 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.35 0.5 . . . . 75.0 112.35 177.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.43 ' HD2' ' O ' ' A' ' 637' ' ' GLY . 0.0 OUTLIER -81.06 -29.85 34.91 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 116.492 -0.322 . . . . 50.0 111.14 -178.419 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -88.5 -21.71 24.02 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.267 -0.424 . . . . 75.0 111.818 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 78.2 p -94.65 -34.03 12.75 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.271 0.357 . . . . 75.0 111.871 -177.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -102.1 146.02 28.52 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.23 0.331 . . . . 25.0 111.726 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -114.03 -5.96 13.13 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.77 -0.65 . . . . 75.0 111.572 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 94.4 p -132.17 153.64 50.34 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.193 -0.458 . . . . 75.0 110.66 -177.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.547 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 0.2 OUTLIER -70.25 -24.35 63.06 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.211 0.819 . . . . 50.0 113.211 -175.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 95.6 m-20 -81.47 -28.65 34.03 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 111.855 0.317 . . . . 50.0 111.855 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -86.02 -35.93 20.05 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.279 0.362 . . . . 75.0 110.382 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -60.36 -53.21 60.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.241 0.616 . . . . 75.0 111.036 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 646' ' ' ARG . 30.3 m-85 -71.49 -16.28 62.35 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 112.823 0.675 . . . . 75.0 112.823 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 0.2 OUTLIER -84.83 -24.64 28.54 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.827 0.306 . . . . 50.0 111.827 -178.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 60.4 mt -73.89 -35.12 64.64 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.589 0.356 . . . . 75.0 111.903 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.653 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.9 OUTLIER -78.59 -30.61 46.77 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.148 -0.478 . . . . 75.0 111.729 174.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -78.58 -26.18 45.46 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.12 0.415 . . . . 25.0 112.12 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -78.25 -29.14 47.98 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 111.858 0.318 . . . . 75.0 111.858 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -70.51 -30.93 67.83 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.154 -0.684 . . . . 75.0 109.154 171.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 10.8 mt -68.6 -28.14 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 114.894 -1.048 . . . . 50.0 110.977 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -84.84 -32.89 23.02 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.3 -0.409 . . . . 75.0 110.785 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -75.88 -34.58 60.0 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.862 0.465 . . . . 75.0 112.156 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 59.0 mt -68.33 -32.23 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-O 121.048 0.451 . . . . 50.0 109.79 175.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -75.64 -19.26 59.31 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.1 -0.954 . . . . 50.0 112.139 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -80.5 -41.35 24.43 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.567 0.347 . . . . 75.0 111.909 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -71.22 -42.39 69.0 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 122.878 0.471 . . . . 75.0 111.763 -176.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.48 -18.83 62.27 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.533 -0.758 . . . . 75.0 112.552 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.475 0.802 0 C-N-CA 122.723 0.409 . . . . 75.0 111.14 -179.022 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 65.8 p . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 112.022 0.379 . . . . 75.0 112.022 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 17.4 mt -86.62 -41.19 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.132 0.419 . . . . 75.0 112.132 -172.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -79.57 -10.64 59.83 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 112.743 0.646 . . . . 75.0 112.743 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -100.2 -12.59 19.44 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.302 -0.863 . . . . 75.0 109.792 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 71.6 mtp -90.87 -27.37 18.84 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.854 -0.612 . . . . 50.0 111.169 171.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -89.85 -19.68 24.34 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.749 -0.659 . . . . 50.0 111.643 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -73.96 -24.4 59.63 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 111.646 0.239 . . . . 75.0 111.646 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.8 p -81.47 -23.57 37.34 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.423 -0.353 . . . . 50.0 111.806 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 544' ' ' ALA . . . . . 0.43 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.08 -22.91 31.03 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.14 0.422 . . . . 25.0 112.14 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 545' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 612' ' ' PHE . 46.1 mt -82.44 -14.75 54.59 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.411 0.522 . . . . 50.0 112.411 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 71.5 mt -80.94 -33.03 34.28 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.001 0.429 . . . . 50.0 110.716 176.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.6 p -76.5 -15.96 59.76 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.226 -0.897 . . . . 75.0 112.228 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 25.0 mm100 -73.5 -12.5 60.81 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.07 0.767 . . . . 75.0 113.07 -176.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 41.0 pt -104.66 -8.47 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 112.314 0.487 . . . . 75.0 112.314 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 67.2 p -99.35 -36.2 9.68 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.383 -0.371 . . . . 50.0 111.214 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 40.2 t . . . . . 0 C--O 1.253 1.26 0 CA-C-O 118.744 -0.646 . . . . 50.0 110.984 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.605 0 CA-C-O 119.698 -0.501 . . . . 50.0 113.935 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 8.7 p-90 -85.06 -36.39 21.25 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.996 0.398 . . . . 50.0 111.394 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 592' ' ' HIS . . . . . 0.918 ' HD1' ' HH ' ' A' ' 640' ' ' TYR . 13.8 t60 -65.67 -34.96 79.42 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.249 0.62 . . . . 50.0 111.568 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -86.17 -18.97 30.81 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.333 0.396 . . . . 50.0 111.583 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -88.61 -26.45 21.9 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.802 -0.636 . . . . 75.0 111.121 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 31.2 t -85.89 132.2 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 109.677 -0.49 . . . . 50.0 109.677 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 53.3 p -108.59 -176.18 2.97 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.874 -0.603 . . . . 25.0 112.073 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -79.51 -18.1 52.65 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.235 -0.893 . . . . 50.0 110.146 171.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -82.49 -26.54 32.48 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-N 115.571 -0.74 . . . . 75.0 111.598 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 44.4 tp -65.71 -50.57 64.38 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 122.877 0.11 . . . . 75.0 111.242 172.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -57.77 -23.35 51.77 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.746 0.646 . . . . 75.0 112.746 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.8 p -84.24 -32.61 24.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.331 -0.395 . . . . 75.0 111.342 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -79.55 -23.28 42.94 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.891 0.476 . . . . 50.0 110.736 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -32.54 64.95 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.901 0.88 . . . . 50.0 110.367 174.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 40.8 t -83.33 -34.38 10.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-N 114.827 -1.079 . . . . 50.0 110.666 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -72.24 -17.77 61.88 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.377 0.423 . . . . 50.0 110.521 176.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -85.76 -22.4 27.75 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.554 -0.748 . . . . 75.0 109.422 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.466 HD23 HD12 ' A' ' 653' ' ' LEU . 2.4 tp -86.05 -37.93 18.38 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 114.449 -1.25 . . . . 75.0 111.254 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 40.6 t -70.23 -25.25 27.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 C-N-CA 123.493 0.717 . . . . 50.0 111.372 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -79.66 -36.59 37.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.062 0.458 . . . . 75.0 110.543 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -69.67 -21.9 63.48 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.02 -0.991 . . . . 25.0 112.148 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 76.6 mt -96.96 -59.33 3.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 116.357 -0.383 . . . . 75.0 110.224 178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -144.84 104.14 4.51 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-O 119.578 -0.249 . . . . 50.0 110.794 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.2 133.03 10.66 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 122.391 2.061 . . . . 50.0 112.46 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 14.8 m -143.44 123.82 7.86 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -50.97 -52.85 8.22 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 124.174 3.249 . . . . 75.0 114.297 171.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -80.9 122.42 81.93 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.413 -0.812 . . . . 50.0 112.465 -175.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -64.08 -10.4 23.06 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 123.038 2.492 . . . . 50.0 113.937 172.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -71.7 -28.89 64.01 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.397 0.517 . . . . 25.0 112.397 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -86.06 -15.24 41.93 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.302 -0.408 . . . . 25.0 111.457 176.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 83.0 mt -91.39 -21.98 20.71 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.677 -0.692 . . . . 75.0 110.916 -176.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -104.28 14.9 29.42 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 120.916 0.388 . . . . 75.0 110.918 -178.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -83.86 167.34 17.13 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.999 -0.546 . . . . 75.0 111.592 -175.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 92.5 mtm-85 -61.75 -54.8 37.54 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.215 0.606 . . . . 75.0 112.189 -177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -20.3 65.99 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.27 0.628 . . . . 75.0 112.68 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 37.5 tpp -88.76 -39.64 13.78 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.081 0.238 . . . . 75.0 111.437 -177.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -54.14 -20.4 6.63 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 112.83 0.678 . . . . 75.0 112.83 -177.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -68.48 -36.79 79.45 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.518 0.327 . . . . 50.0 111.63 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.521 HD23 HG23 ' B' ' 537' ' ' ILE . 13.3 mt -86.97 -33.53 19.61 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 123.306 0.379 . . . . 50.0 110.862 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.436 HG11 ' HD2' ' A' ' 633' ' ' LYS . 73.3 t -56.28 -37.31 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 122.738 0.415 . . . . 50.0 110.004 172.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.548 ' HA ' ' HB2' ' A' ' 633' ' ' LYS . . . -80.67 -18.68 47.24 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.974 -1.012 . . . . 25.0 111.348 177.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . 0.439 ' O ' ' HB3' ' A' ' 634' ' ' LYS . 37.8 t80 -75.13 -35.82 61.65 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.488 -0.778 . . . . 75.0 110.603 175.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . 0.477 ' HA ' HG22 ' A' ' 635' ' ' VAL . . . -84.33 -31.34 24.87 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.964 -0.562 . . . . 25.0 111.056 175.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.548 ' HB2' ' HA ' ' A' ' 630' ' ' ALA . 65.3 mttt -64.96 -19.16 65.83 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.816 -0.629 . . . . 75.0 110.315 171.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 631' ' ' TYR . 62.4 tttm -76.11 -53.79 7.79 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.722 -1.126 . . . . 75.0 111.12 176.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 632' ' ' ALA . 15.8 m -76.16 -23.83 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 115.504 -0.771 . . . . 50.0 112.596 -166.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.532 ' HA ' ' HE3' ' A' ' 639' ' ' MET . 3.0 pp20? -69.75 -34.91 74.45 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.044 0.537 . . . . 50.0 111.081 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -82.23 -20.65 62.2 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 116.169 -0.469 . . . . 50.0 113.617 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -82.08 -18.66 42.27 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.48 0.312 . . . . 75.0 111.551 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.532 ' HE3' ' HA ' ' A' ' 636' ' ' GLU . 26.9 mtm -73.31 -21.04 60.66 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.37 -0.377 . . . . 75.0 111.662 178.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.918 ' HH ' ' HD1' ' A' ' 592' ' ' HIS . 67.9 t80 -75.01 -31.71 61.46 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.317 0.647 . . . . 50.0 111.709 -176.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -88.55 -23.89 23.04 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.203 -0.453 . . . . 75.0 112.007 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 76.5 p -90.37 -36.36 14.67 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.009 0.374 . . . . 50.0 112.009 -176.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.72 156.23 18.23 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.67 0.388 . . . . 25.0 111.928 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -113.02 -18.99 12.06 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.881 -0.599 . . . . 75.0 111.718 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.3 p -132.6 157.7 44.08 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.244 -0.435 . . . . 75.0 110.475 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -73.31 -17.31 61.32 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.728 0.64 . . . . 50.0 112.728 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -80.92 -28.23 35.87 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.316 0.385 . . . . 75.0 110.693 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -86.28 -42.45 13.74 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.271 -0.422 . . . . 75.0 110.294 176.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -56.17 -47.59 77.97 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.975 0.91 . . . . 75.0 111.894 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -69.2 -15.85 63.48 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.147 -0.479 . . . . 75.0 112.219 176.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.24 -24.18 30.12 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.626 0.602 . . . . 50.0 112.626 -174.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.453 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 91.7 mt -72.94 -27.17 61.68 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 118.132 0.424 . . . . 75.0 111.572 176.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.471 HD11 ' HA ' ' A' ' 653' ' ' LEU . 4.0 tp -87.24 -32.84 19.53 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.324 0.39 . . . . 75.0 111.428 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -74.22 -27.14 60.64 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.794 0.437 . . . . 25.0 112.007 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -78.42 -27.8 46.68 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.11 0.256 . . . . 75.0 111.682 177.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -71.17 -30.29 66.25 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.434 -0.58 . . . . 75.0 109.434 170.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 23.2 mt -67.95 -28.79 42.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.029 -0.987 . . . . 50.0 111.047 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -84.48 -33.83 23.51 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.266 -0.424 . . . . 75.0 110.728 178.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -76.76 -32.0 57.43 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.515 0.509 . . . . 75.0 112.156 -178.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 53.3 mt -68.72 -31.34 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.619 -0.512 . . . . 50.0 109.619 174.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -74.55 -19.56 60.29 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.304 -0.862 . . . . 50.0 112.296 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -78.66 -40.52 33.87 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.595 0.358 . . . . 75.0 111.412 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -67.42 -42.9 82.46 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.453 0.701 . . . . 75.0 111.931 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -73.94 -18.48 60.88 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.366 0.506 . . . . 50.0 112.366 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 . . . . . 0 CA--C 1.548 0.875 0 C-N-CA 122.988 0.515 . . . . 75.0 112.293 -177.276 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 29.8 m . . . . . 0 CA--C 1.532 0.269 0 N-CA-C 112.314 0.487 . . . . 75.0 112.314 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 537' ' ' ILE . . . . . 0.521 HG23 HD23 ' A' ' 628' ' ' LEU . 78.2 mt -81.67 -38.49 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 111.986 0.365 . . . . 50.0 111.986 -171.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.41 -11.0 59.41 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.774 0.657 . . . . 75.0 112.774 -175.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -101.88 -9.34 20.81 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.513 -0.767 . . . . 75.0 110.137 174.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 73.3 mtp -95.12 -29.02 14.78 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.764 -0.653 . . . . 50.0 111.233 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -90.76 -21.03 21.75 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.796 -0.638 . . . . 50.0 111.506 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -71.97 -24.64 61.63 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 111.86 0.319 . . . . 75.0 111.86 -176.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 79.9 p -81.51 -37.35 28.0 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.046 0.387 . . . . 50.0 112.046 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.0 -21.88 31.55 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.235 -0.438 . . . . 25.0 111.66 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 39.8 mt -84.37 -14.94 48.11 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.71 -0.677 . . . . 75.0 111.643 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 56.7 mt -82.0 -28.27 32.68 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 121.256 0.55 . . . . 50.0 110.108 168.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 6.1 p -71.84 -16.08 62.15 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.618 -1.173 . . . . 50.0 112.595 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -79.06 -11.51 60.0 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.08 0.4 . . . . 75.0 112.08 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 94.2 mt -97.06 -32.58 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 116.069 -0.514 . . . . 50.0 110.289 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 66.3 p -94.67 -32.79 13.22 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.379 -0.373 . . . . 50.0 111.612 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 N--CA 1.483 1.221 0 C-N-CA 124.131 0.973 . . . . 50.0 111.983 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 113.633 0.213 . . . . 50.0 113.633 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -84.31 -24.75 29.69 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.76 0.424 . . . . 50.0 112.026 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -74.7 -13.25 60.59 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 116.251 -0.432 . . . . 50.0 111.266 175.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -83.72 -30.46 26.69 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.375 0.509 . . . . 75.0 112.375 -177.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -103.47 -22.64 13.61 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.879 0.696 . . . . 50.0 112.879 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 77.7 t -81.16 128.37 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 120.834 0.349 . . . . 50.0 110.105 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.481 ' HG1' ' H ' ' A' ' 598' ' ' ASP . 53.3 p -111.13 -175.13 2.63 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.536 -0.757 . . . . 25.0 111.546 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -69.6 -18.81 63.65 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.393 -0.821 . . . . 75.0 110.381 168.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . 0.481 ' H ' ' HG1' ' A' ' 596' ' ' THR . 73.6 m-20 -82.49 -37.5 25.23 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 115.829 -0.623 . . . . 75.0 112.299 -177.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.31 -47.54 85.58 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 111.967 0.358 . . . . 75.0 111.967 175.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -60.36 -30.01 69.29 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.972 0.509 . . . . 75.0 111.782 -175.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.7 p -76.97 -27.3 54.71 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.524 -0.762 . . . . 75.0 111.548 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 605' ' ' HIS . 61.5 m170 -85.92 -21.4 27.97 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.663 0.385 . . . . 50.0 110.575 176.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 60.9 mt -76.29 -34.47 59.08 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.69 -0.686 . . . . 75.0 109.695 172.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 39.7 t -73.7 -35.01 42.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 115.134 -0.939 . . . . 50.0 110.819 172.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 602' ' ' HIS . 2.8 m-70 -74.47 -17.19 60.81 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.407 0.283 . . . . 50.0 110.919 177.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -85.18 -25.52 27.34 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.985 0.898 . . . . 75.0 109.017 174.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.8 mt -86.54 -43.63 12.57 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 113.328 -1.76 . . . . 75.0 111.322 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 78.7 t -70.4 -25.6 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.614 0.766 . . . . 50.0 111.35 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -84.82 -29.14 25.62 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.519 0.2 . . . . 75.0 111.333 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -71.39 -33.67 69.7 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.044 173.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.48 HG12 HG23 ' A' ' 660' ' ' ILE . 97.0 mt -76.54 -52.37 17.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 115.801 -0.636 . . . . 75.0 109.34 174.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -143.95 116.03 5.64 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 116.37 -0.377 . . . . 75.0 110.661 172.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.11 125.36 11.87 Favored 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.214 1.942 . . . . 75.0 112.375 175.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 77.0 p -100.48 113.52 65.51 Favored Pre-proline 0 CA--C 1.535 0.369 0 N-CA-C 112.899 0.703 . . . . 25.0 112.899 -175.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -62.24 -51.93 3.11 Favored 'Trans proline' 0 C--N 1.368 1.587 0 C-N-CA 123.4 2.733 . . . . 75.0 112.493 166.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -106.42 123.13 39.81 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 114.726 -1.124 . . . . 50.0 111.441 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -61.6 -10.14 15.66 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 123.043 2.495 . . . . 50.0 113.966 173.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.12 -8.14 56.99 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.631 0.604 . . . . 25.0 112.631 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -80.48 -9.25 59.77 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.054 0.391 . . . . 25.0 112.054 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 81.4 mt -84.74 0.4 50.69 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.14 -0.482 . . . . 75.0 111.996 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -105.5 14.44 28.62 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 121.031 0.443 . . . . 75.0 110.564 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -89.42 157.15 18.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.853 -0.612 . . . . 75.0 110.843 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 14.9 mmp_? -79.4 -38.43 34.86 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.484 -0.78 . . . . 75.0 110.855 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 -69.7 -27.27 64.86 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.954 -1.021 . . . . 50.0 112.421 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 54.3 ttm -90.03 -37.48 14.27 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 123.283 0.364 . . . . 75.0 111.485 -177.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -56.09 -21.55 22.78 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.308 0.643 . . . . 75.0 112.679 -177.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -73.21 -34.53 65.98 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.081 0.4 . . . . 50.0 112.081 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 94.5 mt -86.29 -31.56 21.55 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 123.14 0.275 . . . . 50.0 110.44 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.6 -34.51 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.062 0.545 . . . . 50.0 110.292 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -78.8 -18.88 53.38 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.213 -0.903 . . . . 25.0 111.795 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -78.68 -37.6 41.36 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.11 -0.495 . . . . 75.0 110.138 172.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -79.22 -33.64 43.54 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.519 0.512 . . . . 25.0 111.845 -177.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -64.99 -30.42 71.41 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.208 0.603 . . . . 75.0 111.689 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.407 ' HE3' ' OD2' ' A' ' 638' ' ' ASP . 47.4 tptt -82.95 -31.4 27.69 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.412 -0.813 . . . . 75.0 110.245 174.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.454 ' O ' ' HE1' ' A' ' 639' ' ' MET . 1.2 t -73.15 -21.26 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 115.027 -0.988 . . . . 75.0 112.505 -173.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.417 ' OE2' ' OH ' ' A' ' 649' ' ' TYR . 10.2 tp10 -82.31 -30.77 30.31 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 122.437 0.295 . . . . 50.0 110.726 176.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -81.25 -27.76 47.46 Favored Glycine 0 C--N 1.346 1.097 0 N-CA-C 114.506 0.562 . . . . 50.0 114.506 -173.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . 0.407 ' OD2' ' HE3' ' A' ' 634' ' ' LYS . 97.1 m-20 -72.89 -18.85 61.38 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 117.003 0.402 . . . . 75.0 112.015 179.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.547 ' HE3' ' HA ' ' A' ' 653' ' ' LEU . 61.4 mtt -75.73 -20.52 58.28 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.945 -0.571 . . . . 75.0 112.467 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 641' ' ' GLU . 0.0 OUTLIER -74.51 -28.91 61.2 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.552 -177.626 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 640' ' ' TYR . 92.9 mt-10 -88.9 -21.81 23.44 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.165 -0.47 . . . . 75.0 112.029 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 34.7 m -92.47 -45.33 8.2 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.27 0.47 . . . . 50.0 112.27 -175.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -83.09 147.98 27.79 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.805 0.298 . . . . 25.0 111.805 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -105.74 -17.77 14.28 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.896 -0.593 . . . . 50.0 111.468 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 645' ' ' SER . . . . . 0.46 ' HG ' ' HB2' ' A' ' 648' ' ' GLU . 79.8 p -131.76 163.33 28.44 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.666 0.27 . . . . 50.0 110.917 -176.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -72.92 -29.47 63.14 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.818 -0.628 . . . . 50.0 111.962 -175.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -81.37 -23.97 37.33 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.511 0.324 . . . . 50.0 111.871 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.46 ' HB2' ' HG ' ' A' ' 645' ' ' SER . 97.9 mt-10 -85.56 -38.8 18.09 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.819 -0.437 . . . . 75.0 109.819 176.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . 0.458 ' HD2' ' CE2' ' A' ' 650' ' ' TYR . 71.4 t80 -55.26 -49.2 72.64 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.808 0.843 . . . . 75.0 111.78 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.458 ' CE2' ' HD2' ' A' ' 649' ' ' TYR . 21.2 m-30 -68.96 -15.92 63.61 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.66 0.615 . . . . 75.0 112.66 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.2 -24.75 34.76 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.687 0.625 . . . . 50.0 112.687 -174.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 95.0 mt -71.84 -31.67 66.74 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.006 0.372 . . . . 75.0 112.006 176.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.547 ' HA ' ' HE3' ' A' ' 639' ' ' MET . 0.3 OUTLIER -86.08 -31.25 22.01 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.439 0.296 . . . . 75.0 111.639 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 653' ' ' LEU . . . -72.35 -28.65 63.18 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.716 0.406 . . . . 25.0 111.957 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 659' ' ' LYS . 95.7 mt-10 -78.81 -26.0 44.24 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.057 0.391 . . . . 75.0 112.057 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -74.03 -29.48 61.95 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 109.326 -0.62 . . . . 75.0 109.326 169.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 7.8 mt -68.84 -38.93 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.61 -0.723 . . . . 50.0 111.061 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -84.21 -26.15 28.94 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.942 0.401 . . . . 75.0 110.446 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 655' ' ' GLU . 81.7 mttt -79.35 -29.5 42.26 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.251 -0.886 . . . . 75.0 112.043 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.48 HG23 HG12 ' A' ' 611' ' ' ILE . 62.0 mt -80.2 -23.55 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 121.043 0.449 . . . . 50.0 110.059 175.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -70.45 -19.2 62.98 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.726 -0.67 . . . . 50.0 111.956 174.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -74.74 -41.91 59.25 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.904 0.482 . . . . 75.0 111.956 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -70.43 -46.75 63.29 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.376 0.671 . . . . 50.0 112.686 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.5 -21.44 60.15 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 112.303 0.482 . . . . 50.0 112.303 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 122.556 0.342 . . . . 75.0 111.02 179.875 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 89.7 p . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 112.21 0.448 . . . . 50.0 112.21 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.0 mt -85.96 -43.34 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 111.798 0.296 . . . . 50.0 111.798 -173.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -77.9 -10.47 59.59 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.453 0.538 . . . . 75.0 112.453 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -101.1 -7.11 23.49 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.336 -0.847 . . . . 75.0 110.138 175.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 57.7 ttm -95.79 -30.54 13.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.961 -0.563 . . . . 50.0 111.158 171.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 541' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' B' ' 545' ' ' LEU . 28.4 m-20 -88.79 -19.51 25.9 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.977 -0.556 . . . . 50.0 112.338 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -75.51 -21.22 58.17 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 111.916 0.339 . . . . 75.0 111.916 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 88.5 p -81.58 -37.18 28.1 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.06 0.393 . . . . 50.0 112.06 -177.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -81.81 -21.63 37.55 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.804 0.442 . . . . 25.0 111.196 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 545' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' B' ' 541' ' ' ASP . 1.5 mp -77.89 -18.59 56.0 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 115.356 -0.838 . . . . 75.0 111.703 -178.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 69.7 mt -87.91 -28.04 21.78 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.984 0.421 . . . . 50.0 111.181 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 77.2 p -74.64 -16.57 60.77 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.33 -0.85 . . . . 75.0 112.4 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -88.51 -14.83 36.82 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.671 0.619 . . . . 75.0 112.671 -178.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 74.5 mt -105.08 -25.54 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 116.027 -0.533 . . . . 50.0 112.05 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 93.3 p -97.88 -39.46 8.98 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.199 0.312 . . . . 50.0 111.359 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 117.915 -1.04 . . . . 50.0 110.924 -179.924 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 CA-C-O 120.42 -0.1 . . . . 50.0 113.017 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -84.51 -31.56 24.4 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.149 0.58 . . . . 50.0 112.285 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -67.47 -32.19 72.86 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.428 0.291 . . . . 50.0 111.614 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -87.99 -10.68 49.67 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.285 0.366 . . . . 50.0 111.486 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -103.06 -26.71 12.95 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.916 -0.584 . . . . 75.0 111.462 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . 0.431 HG21 HD12 ' A' ' 599' ' ' LEU . 21.4 t -85.01 127.23 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 109.271 -0.64 . . . . 50.0 109.271 178.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 64.0 p -104.63 175.54 5.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.784 -0.644 . . . . 25.0 111.851 -176.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -66.2 -18.94 65.66 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.039 -0.982 . . . . 75.0 110.046 166.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -82.07 -30.97 31.04 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.938 -0.573 . . . . 75.0 111.926 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.431 HD12 HG21 ' A' ' 595' ' ' VAL . 9.7 mt -67.25 -44.66 78.87 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 117.593 0.179 . . . . 75.0 111.252 174.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -53.83 -32.45 52.91 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.923 0.392 . . . . 75.0 111.18 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 66.1 p -85.04 -30.93 23.72 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.142 -0.935 . . . . 75.0 111.96 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -77.8 -36.17 50.64 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.6 0.36 . . . . 50.0 111.651 -176.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.46 -29.91 71.12 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 122.988 0.515 . . . . 50.0 111.838 172.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 82.4 t -82.3 -26.78 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 CA-C-N 115.472 -0.785 . . . . 50.0 110.174 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -83.71 -18.39 38.07 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.241 -0.436 . . . . 50.0 110.307 173.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -86.15 -21.9 27.31 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.404 -0.816 . . . . 75.0 109.25 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 1.1 tp -86.73 -49.12 7.69 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 114.285 -1.325 . . . . 75.0 111.709 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.63 -25.55 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.298 0.639 . . . . 50.0 111.682 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -83.16 -29.31 28.72 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 120.527 0.203 . . . . 75.0 111.284 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.65 -32.28 53.16 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.912 -0.586 . . . . 25.0 111.53 176.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.558 HG12 HG21 ' A' ' 660' ' ' ILE . 87.1 mt -78.78 -55.65 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 116.282 -0.417 . . . . 75.0 110.012 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' B' ' 545' ' ' LEU . 59.7 t80 -138.01 103.54 8.18 Favored Pre-proline 0 CA--C 1.549 0.917 0 O-C-N 123.236 0.335 . . . . 75.0 110.506 175.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -79.06 135.56 12.41 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.509 2.139 . . . . 50.0 112.549 173.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 2.5 t -151.99 127.54 4.94 Favored Pre-proline 0 CA--C 1.544 0.739 0 CA-C-N 116.407 -0.36 . . . . 25.0 111.909 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -49.1 -55.02 4.55 Favored 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 124.065 3.176 . . . . 75.0 114.533 173.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -73.65 116.38 51.13 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 115.721 -0.672 . . . . 50.0 112.514 -176.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -66.43 -10.53 28.03 Favored 'Trans proline' 0 C--N 1.375 1.933 0 C-N-CA 122.775 2.316 . . . . 50.0 113.814 173.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -72.74 -11.98 60.83 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -178.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.07 -14.97 52.73 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.696 0.398 . . . . 25.0 111.848 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 88.8 mt -83.34 -6.89 59.61 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.062 -0.517 . . . . 50.0 112.182 -176.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -106.43 14.91 26.66 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.108 0.48 . . . . 75.0 110.544 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -79.4 165.44 23.1 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.859 -0.61 . . . . 75.0 111.297 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 96.6 mtm-85 -72.31 -54.68 8.81 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 122.848 0.459 . . . . 75.0 111.67 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.441 HH11 ' HB2' ' B' ' 544' ' ' ALA . 95.7 mtt180 -69.07 -27.03 65.27 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.883 0.697 . . . . 50.0 112.883 -177.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -78.52 -38.83 39.73 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 111.636 0.236 . . . . 75.0 111.636 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.87 -20.03 20.85 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.103 0.561 . . . . 75.0 112.124 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -71.85 -35.96 70.01 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.9 0.48 . . . . 50.0 111.913 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.501 HD13 ' CB ' ' B' ' 541' ' ' ASP . 0.6 OUTLIER -86.47 -28.83 23.23 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 110.495 -0.187 . . . . 50.0 110.495 178.396 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.47 -32.76 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.013 0.525 . . . . 50.0 109.968 170.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -82.11 -18.94 41.23 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.786 -1.097 . . . . 25.0 111.454 177.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . 0.447 ' CD1' ' HA ' ' A' ' 628' ' ' LEU . 12.3 m-30 -75.93 -37.12 59.05 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.769 -0.651 . . . . 75.0 110.982 173.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.71 -24.43 28.92 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.255 0.347 . . . . 25.0 111.485 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -66.41 -31.22 71.85 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.193 0.597 . . . . 75.0 112.142 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -87.22 -24.62 24.36 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.826 1.047 . . . . 75.0 113.826 -177.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 5.1 t -69.49 -51.68 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 112.963 0.727 . . . . 50.0 112.963 -170.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -63.84 -20.42 65.79 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.887 0.699 . . . . 75.0 112.887 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -76.52 -24.98 66.49 Favored Glycine 0 C--N 1.343 0.96 0 O-C-N 123.276 0.36 . . . . 50.0 112.76 174.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -87.5 -19.45 27.92 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.889 0.476 . . . . 50.0 110.651 176.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 4.3 mtp -70.68 -22.27 62.49 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.189 0.596 . . . . 75.0 112.232 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -73.99 -30.81 62.67 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.116 0.567 . . . . 50.0 111.57 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -88.58 -24.58 22.82 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.14 -0.482 . . . . 75.0 111.921 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 52.1 m -92.45 -35.28 13.74 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.131 0.419 . . . . 50.0 112.131 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -94.99 138.61 32.49 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.132 0.27 . . . . 25.0 111.408 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -107.69 -9.32 15.86 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.941 -0.572 . . . . 75.0 111.87 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 6.6 p -132.97 156.33 47.49 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.227 -0.442 . . . . 75.0 110.452 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 54.0 ptt85 -76.35 -18.32 58.96 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.888 -0.596 . . . . 75.0 111.555 -177.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -80.88 -25.29 37.71 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.332 0.395 . . . . 50.0 111.206 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -86.75 -45.27 11.09 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.166 -0.47 . . . . 75.0 110.011 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -53.9 -52.43 60.53 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.561 0.744 . . . . 75.0 111.4 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -72.06 -15.88 62.02 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.109 0.781 . . . . 50.0 113.109 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -83.1 -40.9 19.23 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 122.992 0.182 . . . . 50.0 110.872 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 73.6 mt -59.51 -42.87 93.18 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.76 0.824 . . . . 50.0 112.568 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.28 -23.44 59.11 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.527 0.565 . . . . 75.0 112.527 176.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -84.8 -32.73 23.19 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 177.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -83.7 -21.32 32.39 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.076 0.235 . . . . 75.0 111.402 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -71.51 -31.49 67.13 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 108.44 -0.948 . . . . 75.0 108.44 167.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 5.4 mt -68.41 -29.93 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 114.775 -1.102 . . . . 50.0 109.862 173.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 662' ' ' LYS . 87.4 t80 -85.12 -30.64 23.84 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.645 -0.707 . . . . 75.0 110.786 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.469 ' HE2' ' OE2' ' A' ' 663' ' ' GLU . 88.1 tttt -72.33 -40.57 67.33 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.554 0.576 . . . . 75.0 112.554 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.558 HG21 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -67.86 -31.86 53.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 CA-C-N 115.572 -0.74 . . . . 50.0 110.043 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -75.5 -21.69 57.81 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.879 -0.601 . . . . 50.0 111.781 172.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 658' ' ' TYR . 61.4 tttm -85.21 -46.82 10.7 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.885 1.274 . . . . 75.0 110.972 -176.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . 0.469 ' OE2' ' HE2' ' A' ' 659' ' ' LYS . 97.3 mt-10 -62.95 -41.14 99.41 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.572 -0.74 . . . . 50.0 112.682 -178.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.99 -28.79 69.27 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.356 0.502 . . . . 50.0 112.356 174.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 . . . . . 0 N--CA 1.472 0.663 0 C-N-CA 122.517 0.327 . . . . 50.0 111.49 177.685 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 N--CA 1.467 0.401 0 N-CA-C 112.112 0.412 . . . . 75.0 112.112 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 91.9 mt -87.19 -33.76 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 111.94 0.348 . . . . 50.0 111.94 -174.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.44 -11.42 59.25 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.525 0.565 . . . . 50.0 112.525 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -100.67 -7.17 24.15 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.369 -0.832 . . . . 75.0 109.626 174.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 56.5 ttm -97.39 -32.07 12.05 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.077 -0.965 . . . . 75.0 109.804 174.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 541' ' ' ASP . . . . . 0.555 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 50.3 m-20 -89.69 -20.14 23.99 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.178 -0.919 . . . . 50.0 111.851 -178.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -73.32 -27.59 61.6 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 122.154 0.182 . . . . 75.0 111.095 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.9 p -82.04 -26.38 33.81 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.05 -0.523 . . . . 50.0 111.723 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 544' ' ' ALA . . . . . 0.441 ' HB2' HH11 ' A' ' 624' ' ' ARG . . . -82.91 -22.17 33.98 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.909 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 545' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 40.5 mt -82.58 -14.83 54.16 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.495 0.554 . . . . 50.0 112.495 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 88.3 mt -72.64 -29.94 63.88 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 120.858 0.361 . . . . 50.0 111.293 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.9 p -75.56 -16.23 60.28 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.377 -0.828 . . . . 75.0 111.936 177.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . 0.49 ' NE2' HD22 ' B' ' 545' ' ' LEU . 95.1 mt-30 -73.53 -11.25 60.38 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.581 0.585 . . . . 75.0 112.581 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 89.5 mt -91.56 -32.23 5.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 115.947 -0.57 . . . . 50.0 110.67 -178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 61.8 p -89.98 -37.02 14.63 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.327 0.392 . . . . 50.0 111.732 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.823 -0.608 . . . . 50.0 110.955 179.314 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 114.302 0.481 . . . . 50.0 114.302 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 591' ' ' TRP . . . . . 0.522 ' NE1' HG22 ' A' ' 595' ' ' VAL . 13.6 t90 -70.74 -33.59 70.98 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 112.554 0.576 . . . . 50.0 112.554 -177.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -72.64 -13.35 61.35 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 116.55 -0.295 . . . . 50.0 111.401 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -82.26 -29.25 31.35 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.153 0.427 . . . . 75.0 112.153 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -106.69 -24.84 11.99 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.043 0.757 . . . . 50.0 113.043 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . 0.522 HG22 ' NE1' ' A' ' 591' ' ' TRP . 77.3 t -79.38 125.11 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 109.539 -0.541 . . . . 50.0 109.539 178.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 80.3 p -112.78 -176.06 2.82 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.953 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -69.94 -19.04 63.4 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.105 -0.952 . . . . 50.0 109.689 166.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -81.97 -44.88 16.14 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.056 -0.52 . . . . 50.0 111.295 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.404 HD22 HG21 ' A' ' 595' ' ' VAL . 63.4 tp -59.43 -45.03 92.72 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 111.902 0.334 . . . . 75.0 111.902 175.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.527 ' HG2' ' OE2' ' A' ' 636' ' ' GLU . 85.6 mtp180 -62.07 -23.48 66.53 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 111.991 0.367 . . . . 75.0 111.991 -177.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 58.4 p -83.56 -28.62 28.45 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.051 -0.522 . . . . 75.0 110.763 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -78.98 -22.54 45.44 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.459 0.703 . . . . 75.0 111.574 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 71.4 mt -80.89 -35.17 32.93 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.541 -0.754 . . . . 75.0 109.822 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 50.6 t -75.04 -30.79 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 CA-C-N 115.051 -0.977 . . . . 50.0 110.71 172.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.57 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 64.2 t60 -78.43 -17.88 55.75 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.554 0.342 . . . . 50.0 110.942 177.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -85.21 -24.91 27.65 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 122.104 0.954 . . . . 75.0 109.18 174.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.428 ' CD2' ' HB3' ' A' ' 632' ' ' ALA . 17.4 tp -87.6 -38.23 16.12 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 113.108 -1.86 . . . . 75.0 111.885 -173.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 40.6 t -72.63 -27.49 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.18 0.592 . . . . 50.0 111.33 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 97.1 mm-40 -80.17 -36.0 35.66 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-O 120.931 0.396 . . . . 75.0 110.664 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . 0.448 ' CB ' HG12 ' A' ' 657' ' ' ILE . . . -64.28 -34.12 77.39 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.158 -0.928 . . . . 25.0 111.839 174.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.523 HG12 HG23 ' A' ' 660' ' ' ILE . 96.0 mt -80.22 -56.15 7.29 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 N-CA-C 109.452 -0.574 . . . . 75.0 109.452 176.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.442 ' CG ' HD13 ' B' ' 545' ' ' LEU . 76.6 t80 -141.31 113.8 6.78 Favored Pre-proline 0 CA--C 1.549 0.923 0 O-C-N 123.322 0.389 . . . . 50.0 110.206 173.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.12 140.49 92.66 Favored 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.472 2.115 . . . . 50.0 112.758 175.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 86.2 m -99.53 115.01 65.96 Favored Pre-proline 0 C--O 1.236 0.366 0 N-CA-C 113.002 0.741 . . . . 25.0 113.002 -176.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -69.13 -55.61 0.19 Allowed 'Trans proline' 0 C--N 1.367 1.525 0 C-N-CA 123.215 2.61 . . . . 75.0 112.382 166.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -127.68 141.51 41.25 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 115.353 -0.839 . . . . 75.0 111.544 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -58.9 -13.21 17.54 Favored 'Trans proline' 0 C--N 1.371 1.759 0 C-N-CA 124.023 3.149 . . . . 50.0 114.113 173.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.44 -34.96 58.74 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.688 0.395 . . . . 25.0 111.794 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.44 -26.64 61.03 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.079 0.466 . . . . 25.0 110.909 173.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 18.4 tp -81.93 -10.14 59.37 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.004 -0.998 . . . . 75.0 111.711 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -102.88 14.54 31.7 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.232 -0.44 . . . . 75.0 110.494 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -82.53 161.91 22.18 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.755 -0.657 . . . . 75.0 111.148 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.5 mmp_? -79.28 -39.8 32.07 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.615 -0.721 . . . . 75.0 110.626 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -68.01 -24.8 65.15 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 114.74 -1.118 . . . . 50.0 112.178 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -88.35 -38.21 15.32 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.332 -0.395 . . . . 75.0 111.141 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -55.92 -20.3 15.42 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.427 0.691 . . . . 75.0 112.395 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -69.99 -36.05 74.86 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.479 0.548 . . . . 50.0 112.479 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 16.0 mt -86.58 -29.25 22.76 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 110.589 -0.152 . . . . 50.0 110.589 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 73.3 t -56.87 -35.46 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 120.99 0.424 . . . . 50.0 109.867 171.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -75.74 -18.81 59.43 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.109 -0.95 . . . . 25.0 111.36 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . 0.471 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 60.1 t80 -78.82 -35.17 44.52 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.613 -0.721 . . . . 75.0 110.74 172.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . 0.428 ' HB3' ' CD2' ' A' ' 607' ' ' LEU . . . -83.48 -29.05 28.3 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.405 0.44 . . . . 25.0 111.458 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -64.92 -38.81 92.21 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.261 0.553 . . . . 75.0 111.341 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -77.21 -28.81 53.95 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 114.706 -1.134 . . . . 75.0 111.002 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.406 ' HB ' ' HA ' ' A' ' 632' ' ' ALA . 1.2 t -74.4 -44.33 48.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 115.369 -0.832 . . . . 75.0 112.11 -170.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.527 ' OE2' ' HG2' ' A' ' 600' ' ' ARG . 12.1 tm-20 -65.73 -29.01 69.47 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.126 0.57 . . . . 75.0 111.356 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -74.84 -19.04 80.09 Favored Glycine 0 C--N 1.344 0.986 0 CA-C-N 116.116 -0.493 . . . . 50.0 113.358 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -79.18 -19.26 51.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.836 0.454 . . . . 50.0 111.099 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.584 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 14.2 mtt -76.02 -24.17 55.23 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.445 0.535 . . . . 75.0 112.445 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -27.54 50.66 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.349 -0.387 . . . . 50.0 111.3 -177.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -88.73 -21.4 23.87 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.155 -0.475 . . . . 75.0 111.901 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 m -94.59 -46.0 7.15 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.841 0.312 . . . . 75.0 111.841 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -88.75 152.19 21.94 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.857 0.318 . . . . 25.0 111.857 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -116.87 -9.04 11.26 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.066 -0.515 . . . . 75.0 112.03 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 49.4 m -132.34 155.97 47.44 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 122.557 0.343 . . . . 50.0 110.475 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.584 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 1.5 ptt-85 -70.26 -24.8 63.12 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.044 0.757 . . . . 50.0 113.044 -177.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -81.44 -25.15 36.38 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.193 0.308 . . . . 50.0 111.278 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 651' ' ' HIS . 36.1 mm-40 -86.38 -46.8 9.92 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.19 -0.459 . . . . 75.0 110.069 176.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . 0.478 ' OH ' ' OE2' ' A' ' 636' ' ' GLU . 74.2 t80 -53.96 -54.1 43.67 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.926 0.89 . . . . 75.0 111.764 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 646' ' ' ARG . 22.6 m-85 -64.01 -15.13 58.69 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.711 0.634 . . . . 75.0 112.711 176.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 648' ' ' GLU . 84.7 t60 -81.84 -43.36 18.34 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 119.331 -0.366 . . . . 50.0 111.858 -177.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 656' ' ' LYS . 97.1 mt -59.79 -23.04 62.98 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.159 0.8 . . . . 75.0 113.159 -178.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.584 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 51.4 tp -87.66 -39.94 14.59 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 110.51 -0.181 . . . . 75.0 110.51 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.467 ' O ' ' CD1' ' A' ' 658' ' ' TYR . . . -69.83 -25.16 63.62 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.495 0.497 . . . . 25.0 111.492 175.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.78 -35.63 29.37 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.133 -0.485 . . . . 50.0 111.143 176.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 652' ' ' LEU . 31.9 mttt -71.88 -22.34 61.52 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.461 0.476 . . . . 75.0 109.718 173.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.448 HG12 ' CB ' ' A' ' 610' ' ' ALA . 2.0 mt -72.87 -29.99 31.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 115.604 -0.725 . . . . 50.0 110.253 176.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . 0.467 ' CD1' ' O ' ' A' ' 654' ' ' ALA . 27.9 m-85 -85.11 -30.91 23.65 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.337 -0.392 . . . . 75.0 111.156 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -76.64 -34.58 58.31 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.324 0.49 . . . . 75.0 112.324 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.523 HG23 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -73.34 -32.81 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.762 -0.459 . . . . 50.0 109.762 176.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -67.52 -20.04 65.38 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.493 -0.776 . . . . 50.0 112.273 174.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -72.89 -36.97 67.43 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.867 0.467 . . . . 75.0 111.764 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -69.89 -48.02 60.29 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.568 0.747 . . . . 75.0 111.489 -177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 98.7 mt -68.27 -18.85 64.64 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.591 0.589 . . . . 50.0 112.591 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 . . . . . 0 CA--C 1.543 0.697 0 C-N-CA 122.442 0.297 . . . . 75.0 111.07 178.838 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 85.1 p . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 112.039 0.385 . . . . 75.0 112.039 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 85.3 mt -86.76 -32.71 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 111.876 0.325 . . . . 50.0 111.876 -175.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.42 -11.43 59.26 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.641 0.608 . . . . 50.0 112.641 -176.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -98.21 -14.58 20.26 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.505 -0.77 . . . . 75.0 110.02 175.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 94.5 mtp -91.48 -27.84 18.0 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.452 -0.795 . . . . 50.0 110.973 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -92.61 -19.84 21.49 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.628 -0.715 . . . . 50.0 111.613 -178.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -76.5 -26.79 55.66 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.464 0.173 . . . . 75.0 111.209 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.8 p -81.62 -23.52 36.97 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.472 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 544' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' B' ' 548' ' ' GLN . . . -84.24 -22.88 30.65 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.983 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 545' ' ' LEU . . . . . 0.442 HD13 ' CG ' ' A' ' 612' ' ' PHE . 61.2 mt -81.31 -15.41 55.48 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.389 0.515 . . . . 50.0 112.389 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 98.3 mt -82.13 -42.0 19.71 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 120.889 0.376 . . . . 50.0 110.695 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 89.7 p -76.33 -15.77 59.9 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.297 -0.865 . . . . 75.0 111.309 175.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' B' ' 544' ' ' ALA . 46.8 tp60 -75.98 -24.69 55.37 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.266 0.626 . . . . 50.0 111.907 -177.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 14.2 mt -102.35 -28.8 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 115.467 -0.788 . . . . 50.0 112.199 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 94.7 p -92.66 -24.07 18.77 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.268 0.355 . . . . 50.0 111.847 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.486 1.333 0 C-N-CA 124.381 1.072 . . . . 50.0 112.701 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.588 0 CA-C-O 120.123 -0.265 . . . . 50.0 113.671 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -79.25 -27.37 42.37 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.182 0.438 . . . . 50.0 112.182 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -13.23 61.27 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.421 175.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -86.44 -31.63 21.29 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.542 0.571 . . . . 50.0 112.542 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -102.13 -21.25 14.45 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.126 0.787 . . . . 50.0 113.126 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 53.6 t -79.13 129.01 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-O 121.105 0.478 . . . . 50.0 110.721 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 80.3 p -111.48 -176.03 2.85 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.788 -1.096 . . . . 25.0 111.179 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -75.42 -17.09 60.27 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.883 -0.599 . . . . 75.0 110.08 167.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -78.0 -33.13 51.41 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 115.95 -0.568 . . . . 75.0 111.888 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.9 -47.87 81.42 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 112.013 0.375 . . . . 75.0 112.013 174.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -60.19 -21.79 62.16 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.59 0.589 . . . . 75.0 112.59 -175.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.8 p -83.41 -30.58 27.22 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.276 -0.42 . . . . 75.0 111.13 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -82.21 -20.21 38.2 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.418 0.449 . . . . 50.0 110.434 176.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.481 ' O ' HD22 ' A' ' 653' ' ' LEU . 26.8 mt -76.4 -35.11 58.78 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.53 -0.759 . . . . 75.0 109.958 174.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 39.6 t -74.73 -35.56 37.47 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-N 115.216 -0.902 . . . . 50.0 110.755 172.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.547 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 76.1 t60 -73.35 -16.74 61.34 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.854 0.359 . . . . 50.0 110.817 176.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -84.83 -28.56 25.99 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.198 0.999 . . . . 75.0 108.756 176.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.592 HD21 ' CD1' ' A' ' 653' ' ' LEU . 14.4 tp -87.61 -41.21 13.58 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 112.962 -1.926 . . . . 75.0 111.788 -173.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 42.5 t -72.8 -24.99 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.274 0.63 . . . . 50.0 111.159 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 98.5 mm-40 -82.05 -27.83 32.78 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.654 0.264 . . . . 75.0 111.398 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -75.95 -29.75 58.4 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.882 -0.599 . . . . 25.0 111.538 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.527 HG12 HG23 ' A' ' 660' ' ' ILE . 97.5 mt -82.79 -56.5 5.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 N-CA-C 109.473 -0.566 . . . . 75.0 109.473 177.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.401 ' CD2' HD12 ' B' ' 545' ' ' LEU . 89.1 t80 -141.78 110.03 6.11 Favored Pre-proline 0 CA--C 1.549 0.919 0 O-C-N 123.339 0.399 . . . . 50.0 110.381 173.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -66.9 136.13 40.4 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 122.415 2.077 . . . . 50.0 112.324 173.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.19 114.35 61.29 Favored Pre-proline 0 C--O 1.236 0.381 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 -176.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -60.83 -52.46 3.63 Favored 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 123.362 2.708 . . . . 75.0 112.755 167.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -108.97 123.43 37.02 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 114.892 -1.049 . . . . 50.0 111.357 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -61.62 -10.2 15.9 Favored 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 123.095 2.53 . . . . 50.0 114.201 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.82 -8.14 57.62 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.616 0.599 . . . . 25.0 112.616 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.0 -8.02 59.68 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.726 0.41 . . . . 25.0 112.076 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 95.1 mt -83.55 2.92 34.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.101 -0.5 . . . . 75.0 112.195 -175.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -101.52 14.51 31.74 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.097 0.475 . . . . 75.0 110.45 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -88.92 150.02 23.05 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.701 -0.681 . . . . 75.0 110.707 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -79.81 -36.09 37.44 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.44 -0.8 . . . . 75.0 110.875 -175.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.408 ' HE ' ' CB ' ' B' ' 544' ' ' ALA . 73.8 mtp85 -69.64 -28.08 65.59 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.809 -1.087 . . . . 50.0 112.08 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 15.9 ttt -86.34 -35.3 19.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.229 -0.441 . . . . 75.0 111.358 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -55.8 -21.14 17.89 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 112.722 0.638 . . . . 75.0 112.722 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -77.99 -28.42 49.3 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.49 0.316 . . . . 50.0 111.44 176.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.75 -32.34 21.91 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.064 -0.516 . . . . 50.0 110.271 175.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.61 HG13 ' HD2' ' A' ' 633' ' ' LYS . 74.5 t -60.93 -33.91 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 122.978 0.511 . . . . 50.0 110.092 170.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -83.96 -19.13 35.14 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.457 -0.792 . . . . 25.0 112.111 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -73.81 -40.94 62.99 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.407 -0.361 . . . . 75.0 110.14 171.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . 0.432 ' HB3' ' CD2' ' A' ' 607' ' ' LEU . . . -80.12 -31.6 39.1 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.738 -176.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.61 ' HD2' HG13 ' A' ' 629' ' ' VAL . 41.6 mttt -68.61 -21.11 64.51 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.787 -0.642 . . . . 75.0 110.752 177.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -86.67 -39.45 16.05 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.132 -0.94 . . . . 75.0 112.472 -177.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.08 -52.02 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 113.821 1.045 . . . . 50.0 113.821 -166.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.4 ' HA ' ' HG3' ' A' ' 639' ' ' MET . 2.9 pp20? -57.94 -20.39 37.31 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 113.419 0.896 . . . . 75.0 113.419 -176.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.49 -23.48 77.99 Favored Glycine 0 C--N 1.345 1.066 0 C-N-CA 121.673 -0.299 . . . . 50.0 113.04 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -87.21 -19.53 28.24 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 122.993 0.517 . . . . 75.0 111.176 175.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.551 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 9.0 mtm -71.62 -28.77 64.02 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.423 -0.353 . . . . 75.0 111.834 177.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -77.24 -25.07 51.19 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.019 -0.537 . . . . 50.0 110.416 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -89.05 -26.14 21.58 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.15 0.98 . . . . 75.0 111.206 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 34.7 m -96.36 -46.17 6.51 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.329 0.492 . . . . 50.0 112.329 -177.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -85.37 153.2 22.69 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.852 0.316 . . . . 25.0 111.852 -178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -114.83 -12.31 12.12 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.88 -0.6 . . . . 75.0 112.064 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.2 p -131.9 158.85 40.29 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.537 0.335 . . . . 50.0 110.54 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 73.1 ttt-85 -72.61 -25.01 61.15 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.024 -0.535 . . . . 75.0 112.208 -174.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -81.0 -25.22 37.39 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.182 0.302 . . . . 50.0 111.416 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -86.08 -45.21 11.61 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.13 -0.486 . . . . 75.0 109.87 175.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . 0.47 ' HD2' ' CD1' ' A' ' 650' ' ' TYR . 76.4 t80 -54.8 -50.46 68.47 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.691 0.796 . . . . 75.0 111.746 178.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.47 ' CD1' ' HD2' ' A' ' 649' ' ' TYR . 9.4 m-85 -68.63 -15.07 63.41 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 112.346 0.498 . . . . 75.0 112.346 176.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -82.19 -40.21 22.06 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.142 0.423 . . . . 75.0 112.142 -177.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 87.1 mt -59.6 -27.22 66.1 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.535 0.569 . . . . 75.0 112.535 178.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.592 ' CD1' HD21 ' A' ' 607' ' ' LEU . 57.9 tp -86.69 -31.46 21.02 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.406 0.282 . . . . 75.0 110.974 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.43 -25.0 60.32 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.351 174.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -73.44 -39.54 64.9 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.191 -0.459 . . . . 75.0 112.063 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -67.97 -27.37 66.54 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.603 -0.518 . . . . 75.0 109.603 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 17.6 mt -71.9 -30.37 36.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 115.298 -0.865 . . . . 50.0 110.555 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -84.54 -32.83 23.66 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.266 -0.425 . . . . 75.0 111.129 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -77.17 -31.54 55.55 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.202 -0.454 . . . . 75.0 112.145 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.527 HG23 HG12 ' A' ' 611' ' ' ILE . 95.0 mt -78.36 -23.84 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-O 121.113 0.483 . . . . 50.0 109.919 176.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -76.46 -19.7 57.77 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.617 -0.72 . . . . 50.0 111.961 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 665' ' ' GLU . 57.9 tttm -75.91 -39.59 56.0 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.811 0.444 . . . . 75.0 111.89 177.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.31 -47.28 64.93 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.414 0.686 . . . . 50.0 112.546 -176.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.53 -19.49 48.64 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 113.021 0.749 . . . . 50.0 113.021 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 662' ' ' LYS . 64.3 mt-10 . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 113.271 0.841 . . . . 50.0 113.271 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 39.9 t . . . . . 0 CA--C 1.537 0.449 0 N-CA-C 111.812 0.301 . . . . 75.0 111.812 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 97.1 mt -74.26 -37.15 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 113.22 0.822 . . . . 75.0 113.22 -172.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.16 -10.91 59.56 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.081 0.467 . . . . 50.0 112.037 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -104.19 -6.6 20.83 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.032 -0.985 . . . . 75.0 109.512 172.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 54.6 ttm -96.97 -30.87 12.84 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.224 -0.898 . . . . 75.0 110.068 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -89.5 -19.25 25.3 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.22 -0.9 . . . . 50.0 111.782 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -71.11 -26.78 63.18 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.5 0.191 . . . . 75.0 111.076 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.8 p -81.65 -25.69 35.4 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.141 -0.481 . . . . 50.0 111.274 176.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 544' ' ' ALA . . . . . 0.408 ' CB ' ' HE ' ' A' ' 624' ' ' ARG . . . -81.11 -27.65 35.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.329 177.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 545' ' ' LEU . . . . . 0.401 HD12 ' CD2' ' A' ' 612' ' ' PHE . 87.1 mt -84.96 -17.9 36.26 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.915 -0.584 . . . . 50.0 111.105 173.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 7.5 mt -78.92 -29.45 44.18 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.668 -0.696 . . . . 75.0 110.702 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.9 p -76.1 -15.72 60.04 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.59 -0.732 . . . . 75.0 111.9 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -73.42 -11.52 60.5 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 112.474 0.546 . . . . 75.0 112.474 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.5 mt -102.54 -32.04 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.02 -0.536 . . . . 50.0 110.644 -177.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 76.5 p -94.17 -38.79 10.89 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.542 -0.299 . . . . 50.0 111.632 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 94.8 p . . . . . 0 C--O 1.248 1.014 0 CA-C-O 117.983 -1.008 . . . . 50.0 110.64 179.845 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.793 0 N-CA-C 115.065 0.786 . . . . 50.0 115.065 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 31.9 p-90 -68.98 -34.81 75.91 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 117.495 0.648 . . . . 50.0 112.579 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.87 -13.35 60.9 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.209 0.318 . . . . 50.0 111.408 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -82.55 -25.33 33.45 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.079 0.4 . . . . 75.0 112.079 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -111.39 -25.02 9.85 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.938 0.718 . . . . 50.0 112.938 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 87.3 t -80.81 124.31 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 109.524 -0.547 . . . . 50.0 109.524 177.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.55 ' HG1' ' H ' ' A' ' 599' ' ' LEU . 70.3 p -113.53 -174.76 2.53 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.303 -0.862 . . . . 25.0 111.59 -177.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -71.04 -17.86 62.59 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.366 -0.834 . . . . 75.0 109.851 168.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -81.95 -38.47 25.15 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.735 -0.666 . . . . 75.0 112.069 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.55 ' H ' ' HG1' ' A' ' 596' ' ' THR . 1.4 mt -63.87 -41.26 97.81 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.111 0.411 . . . . 75.0 112.111 175.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -63.9 -22.88 67.12 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 112.195 0.442 . . . . 75.0 112.195 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.8 p -84.34 -33.93 23.76 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.842 0.457 . . . . 75.0 111.969 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 55.9 m170 -77.36 -32.96 55.38 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.842 0.457 . . . . 50.0 111.237 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.447 ' HB3' HD22 ' A' ' 653' ' ' LEU . 61.1 mt -69.26 -25.05 64.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.376 0.671 . . . . 75.0 112.69 173.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 50.6 t -82.92 -27.22 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 123.773 0.829 . . . . 50.0 110.11 173.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.435 ' HA ' HG22 ' A' ' 608' ' ' VAL . 21.6 t-80 -81.41 -17.33 49.28 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.932 -0.576 . . . . 75.0 109.812 170.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -82.65 -19.94 37.24 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.51 -0.768 . . . . 75.0 109.434 174.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.715 HD22 ' HB1' ' A' ' 632' ' ' ALA . 0.1 OUTLIER -83.83 -47.75 10.78 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 114.267 -1.333 . . . . 50.0 110.752 -177.819 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 605' ' ' HIS . 34.7 m -66.34 -23.57 31.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.648 -0.706 . . . . 50.0 111.916 -176.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -80.84 -39.01 27.28 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 122.815 0.446 . . . . 75.0 110.943 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.42 63.45 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.52 -0.763 . . . . 25.0 111.91 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.51 HG12 HG22 ' A' ' 660' ' ' ILE . 96.6 mt -82.91 -44.23 18.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 N-CA-C 109.991 -0.374 . . . . 75.0 109.991 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.532 ' CD2' HD13 ' B' ' 545' ' ' LEU . 87.9 t80 -142.84 115.54 6.11 Favored Pre-proline 0 CA--C 1.547 0.858 0 O-C-N 123.207 0.317 . . . . 50.0 110.225 171.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.1 140.29 27.96 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 121.702 1.601 . . . . 75.0 112.347 174.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 37.7 p -112.1 114.79 50.94 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -63.0 -52.58 2.06 Favored 'Trans proline' 0 C--N 1.37 1.708 0 C-N-CA 123.326 2.684 . . . . 75.0 112.477 166.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -105.52 125.96 32.06 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 114.707 -1.133 . . . . 50.0 111.282 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -61.08 -10.56 15.45 Favored 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 123.134 2.556 . . . . 50.0 114.136 174.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.17 -8.35 56.84 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.72 -13.43 54.05 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.278 -0.419 . . . . 25.0 112.1 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 95.6 mt -82.27 -0.58 46.1 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.347 0.499 . . . . 50.0 112.347 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -106.1 14.76 27.3 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.959 0.409 . . . . 75.0 111.173 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . 0.433 ' OD2' ' HG3' ' B' ' 548' ' ' GLN . 47.4 t0 -87.26 158.61 19.05 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.857 -0.61 . . . . 75.0 111.085 -176.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 54.2 tpt85 -79.12 -39.07 34.55 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.559 -0.746 . . . . 75.0 110.709 -177.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -68.8 -19.66 64.3 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.747 -1.115 . . . . 75.0 111.738 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 57.8 tpp -81.11 -37.08 29.49 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.184 0.594 . . . . 75.0 110.535 177.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -61.51 -21.58 64.35 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.663 0.785 . . . . 75.0 112.405 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.44 -43.54 69.68 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.73 0.641 . . . . 50.0 112.73 -177.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 4.3 mt -86.43 -21.57 27.02 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 121.25 -0.18 . . . . 50.0 111.096 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.2 -33.01 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 109.181 -0.674 . . . . 50.0 109.181 166.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -76.89 -19.08 57.87 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 114.598 -1.183 . . . . 25.0 111.529 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -75.85 -40.88 53.89 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.263 -0.426 . . . . 75.0 110.142 168.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . 0.715 ' HB1' HD22 ' A' ' 607' ' ' LEU . . . -79.77 -28.64 40.36 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.31 -0.405 . . . . 25.0 111.754 -175.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -64.61 -25.63 68.04 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.863 0.465 . . . . 75.0 111.562 177.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -85.79 -34.44 21.12 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.191 -0.913 . . . . 75.0 112.064 -176.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.572 ' O ' ' HG3' ' A' ' 639' ' ' MET . 53.0 t -77.15 -38.22 27.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 N-CA-C 112.632 0.605 . . . . 50.0 112.632 -170.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.622 ' HA ' ' HE3' ' A' ' 639' ' ' MET . 38.2 tp10 -63.44 -37.23 86.47 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.184 0.439 . . . . 50.0 112.184 176.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -81.75 -19.56 65.46 Favored Glycine 0 C--N 1.345 1.035 0 O-C-N 123.477 0.486 . . . . 50.0 113.411 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -84.48 -18.68 35.06 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.593 0.357 . . . . 50.0 111.08 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.622 ' HE3' ' HA ' ' A' ' 636' ' ' GLU . 38.1 mtm -73.36 -26.78 61.16 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.074 0.398 . . . . 75.0 112.074 -178.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -26.11 61.42 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.321 -0.4 . . . . 50.0 111.628 -175.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -88.62 -26.14 22.06 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.161 -0.472 . . . . 75.0 111.761 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 66.4 p -94.1 -34.0 13.14 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.187 0.439 . . . . 50.0 112.187 -176.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -96.22 143.63 27.15 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.412 0.285 . . . . 25.0 111.524 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -105.5 -16.75 14.63 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.903 -0.59 . . . . 75.0 111.683 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 91.6 p -132.27 161.73 32.75 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.072 -0.513 . . . . 50.0 110.557 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.499 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 1.7 ptm180 -74.83 -18.61 60.42 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.011 -0.54 . . . . 75.0 111.901 -176.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 95.5 m-20 -80.91 -26.88 36.46 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.171 0.294 . . . . 50.0 111.59 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -85.66 -44.89 12.2 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.364 0.415 . . . . 75.0 110.022 175.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . 0.465 ' O ' ' SD ' ' A' ' 639' ' ' MET . 80.7 t80 -52.14 -52.35 52.23 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.537 0.735 . . . . 75.0 111.489 176.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' A' ' 646' ' ' ARG . 23.1 m-85 -72.19 -16.32 61.96 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.001 0.741 . . . . 75.0 113.001 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 0.1 OUTLIER -84.34 -36.32 22.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 122.376 0.27 . . . . 50.0 111.01 178.844 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.32 -39.24 89.78 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.951 0.9 . . . . 50.0 112.514 176.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.584 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 6.3 tp -77.83 -29.87 50.78 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.879 -0.6 . . . . 75.0 112.411 177.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -81.73 -25.8 35.09 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -75.32 -32.91 61.08 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.147 0.425 . . . . 75.0 112.147 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -67.96 -29.81 68.95 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.472 -0.566 . . . . 75.0 109.472 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 5.1 mt -71.48 -37.78 65.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-N 115.554 -0.748 . . . . 50.0 110.891 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -82.93 -27.37 30.64 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.93 0.395 . . . . 75.0 110.428 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -77.39 -33.44 55.09 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.324 -0.853 . . . . 50.0 112.199 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.51 HG22 HG12 ' A' ' 611' ' ' ILE . 77.7 mt -77.7 -30.12 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 109.958 -0.386 . . . . 50.0 109.958 177.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -63.2 -19.64 64.7 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.804 -0.634 . . . . 50.0 112.157 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -75.28 -43.62 50.19 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.175 0.435 . . . . 75.0 112.175 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -65.65 -34.19 77.64 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.168 0.587 . . . . 50.0 112.385 -175.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.55 -23.3 67.33 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.84 -0.618 . . . . 50.0 112.216 174.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 . . . . . 0 N--CA 1.47 0.535 0 C-N-CA 122.452 0.301 . . . . 75.0 111.809 175.203 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 79.0 p . . . . . 0 C--O 1.235 0.325 0 CA-C-O 120.591 0.234 . . . . 50.0 111.262 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 95.4 mt -87.06 -32.62 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 115.895 -0.593 . . . . 50.0 110.825 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.63 -11.27 59.17 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.771 0.656 . . . . 50.0 112.771 -177.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -97.6 -16.07 20.19 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.412 -0.813 . . . . 75.0 109.731 175.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 96.3 mmm -91.03 -26.64 19.09 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.312 -0.858 . . . . 50.0 110.743 173.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -89.13 -20.08 24.72 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.391 -0.822 . . . . 50.0 111.539 -178.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -75.53 -28.92 59.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.14 0.176 . . . . 75.0 111.379 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 76.3 p -81.74 -22.88 37.04 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.737 0.415 . . . . 50.0 111.855 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 544' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.18 -22.5 30.93 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.351 -0.386 . . . . 25.0 112.01 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 545' ' ' LEU . . . . . 0.532 HD13 ' CD2' ' A' ' 612' ' ' PHE . 89.3 mt -83.54 -15.38 49.52 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.381 0.512 . . . . 50.0 112.381 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 84.4 mt -80.51 -32.66 36.85 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.874 0.369 . . . . 50.0 110.954 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.8 p -75.78 -16.41 60.11 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.417 -0.811 . . . . 75.0 111.984 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 89.4 mm-40 -81.71 -25.3 35.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.255 -0.43 . . . . 75.0 112.002 -178.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 43.9 pt -103.05 -20.26 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 115.37 -0.832 . . . . 75.0 112.216 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 91.6 p -94.21 -34.31 12.94 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.229 0.331 . . . . 50.0 111.411 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--O 1.249 1.036 0 CA-C-O 117.988 -1.006 . . . . 50.0 110.614 179.493 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.817 0 N-CA-C 113.972 0.349 . . . . 50.0 113.972 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 591' ' ' TRP . . . . . 0.404 ' O ' HG21 ' A' ' 595' ' ' VAL . 64.3 p-90 -68.11 -35.4 78.07 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.102 0.561 . . . . 50.0 112.482 -177.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -68.62 -33.94 74.9 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 122.803 0.441 . . . . 50.0 111.594 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -87.06 -12.35 47.54 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 122.854 0.462 . . . . 75.0 110.805 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -97.39 -26.85 14.72 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.953 -0.567 . . . . 75.0 111.525 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . 0.404 HG21 ' O ' ' A' ' 591' ' ' TRP . 86.0 t -88.01 127.38 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.478 -0.564 . . . . 50.0 109.478 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 80.3 p -110.34 179.47 4.08 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.967 -177.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -69.29 -20.66 63.9 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.886 -1.052 . . . . 50.0 109.807 167.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -83.29 -32.76 26.19 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 116.005 -0.543 . . . . 75.0 111.943 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 1.4 mt -68.79 -44.37 73.74 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 111.818 0.303 . . . . 75.0 111.818 174.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.87 ' HD2' ' HH ' ' A' ' 640' ' ' TYR . 39.0 mtp180 -62.63 -22.98 66.83 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.234 0.457 . . . . 75.0 112.234 -176.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.9 p -84.42 -34.13 23.56 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 122.706 0.403 . . . . 75.0 111.719 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -77.6 -32.85 53.84 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.843 0.457 . . . . 50.0 111.124 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.472 HD13 ' HE2' ' A' ' 650' ' ' TYR . 61.0 mt -69.8 -25.86 63.99 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.803 0.668 . . . . 75.0 112.803 173.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.658 ' HA ' HD13 ' A' ' 607' ' ' LEU . 28.0 t -82.81 -23.94 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 123.468 0.707 . . . . 50.0 109.847 173.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -84.05 -17.73 39.36 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.845 -0.616 . . . . 50.0 109.704 169.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -82.06 -19.95 39.25 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.257 -0.883 . . . . 75.0 109.258 175.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.658 HD13 ' HA ' ' A' ' 604' ' ' VAL . 0.3 OUTLIER -85.91 -50.7 6.89 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 114.179 -1.373 . . . . 50.0 111.097 -176.383 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.28 -26.08 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-N 115.627 -0.715 . . . . 50.0 111.72 -176.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -82.21 -27.84 32.33 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.491 0.186 . . . . 75.0 111.349 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -80.32 -33.21 37.69 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.388 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.514 HG12 HG22 ' A' ' 660' ' ' ILE . 95.1 mt -78.15 -47.91 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 116.076 -0.511 . . . . 75.0 110.09 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.479 ' CD2' HD11 ' B' ' 545' ' ' LEU . 86.4 t80 -143.85 111.13 5.24 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 122.574 0.35 . . . . 50.0 110.108 172.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.81 137.9 60.78 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.364 2.043 . . . . 50.0 112.267 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 60.6 p -98.62 114.41 65.32 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 112.821 0.674 . . . . 25.0 112.821 -175.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -68.7 -50.53 0.61 Allowed 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 123.157 2.571 . . . . 75.0 112.069 166.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -105.26 129.95 23.91 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 114.81 -1.086 . . . . 75.0 111.759 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.04 -16.4 44.89 Favored 'Trans proline' 0 C--N 1.367 1.501 0 C-N-CA 123.552 2.835 . . . . 50.0 114.007 176.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -85.76 -12.78 50.16 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.39 -9.12 46.14 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.456 0.539 . . . . 25.0 112.456 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 51.9 mt -82.33 -5.71 58.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 122.805 0.442 . . . . 75.0 112.162 -176.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.61 14.58 31.58 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.145 0.498 . . . . 75.0 110.391 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -86.63 153.37 21.82 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.609 -0.723 . . . . 75.0 110.812 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -75.49 -47.9 25.0 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.272 -0.876 . . . . 75.0 111.647 -177.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -65.04 -21.1 66.78 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.01 0.524 . . . . 50.0 112.381 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 27.5 tpp -77.44 -41.67 38.85 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 122.821 0.449 . . . . 75.0 110.531 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.96 -19.68 65.95 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.656 0.613 . . . . 50.0 112.656 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -65.86 -40.92 92.14 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 122.887 0.475 . . . . 50.0 111.763 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 88.2 mt -86.53 -22.99 26.04 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 122.961 0.163 . . . . 50.0 110.858 177.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.423 ' O ' ' HG3' ' A' ' 633' ' ' LYS . 6.0 t -54.79 -39.83 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 108.913 -0.773 . . . . 50.0 108.913 168.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -70.0 -19.19 63.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 114.548 -1.205 . . . . 25.0 111.682 176.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . 0.424 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 11.0 t80 -76.65 -39.21 52.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.23 -0.441 . . . . 75.0 110.002 168.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . 0.478 ' HB3' HD12 ' A' ' 607' ' ' LEU . . . -78.35 -31.18 48.44 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.286 -0.416 . . . . 25.0 112.05 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 629' ' ' VAL . 93.7 mttt -66.02 -24.07 66.68 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.007 0.432 . . . . 75.0 110.923 177.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -85.39 -35.24 21.47 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.205 -0.907 . . . . 75.0 112.048 -175.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.53 ' O ' ' HG3' ' A' ' 639' ' ' MET . 35.2 m -75.11 -21.94 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 112.802 0.667 . . . . 50.0 112.802 -172.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.754 ' HA ' ' HE2' ' A' ' 639' ' ' MET . 25.9 pt-20 -70.7 -31.1 67.86 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.325 0.25 . . . . 50.0 111.288 177.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . 0.62 ' HA2' ' HD1' ' A' ' 640' ' ' TYR . . . -84.44 -34.35 16.99 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 116.111 -0.495 . . . . 50.0 113.884 -175.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -72.69 -19.18 61.46 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.897 0.38 . . . . 75.0 111.345 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.754 ' HE2' ' HA ' ' A' ' 636' ' ' GLU . 15.4 mtm -75.26 -23.1 57.43 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.521 -0.763 . . . . 75.0 112.118 176.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.87 ' HH ' ' HD2' ' A' ' 600' ' ' ARG . 29.4 m-85 -74.96 -29.44 60.92 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.985 -0.552 . . . . 50.0 111.747 -176.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -88.47 -22.05 23.88 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.154 -0.475 . . . . 75.0 111.832 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 78.4 p -96.18 -38.18 10.25 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.331 -0.395 . . . . 75.0 112.01 -176.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -91.33 147.13 23.26 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.722 0.296 . . . . 25.0 111.681 -177.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -118.01 -15.93 9.89 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.742 -0.663 . . . . 50.0 111.097 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 88.5 p -131.82 -178.79 5.04 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.761 -0.2 . . . . 50.0 111.343 -176.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -79.45 -32.98 42.79 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.306 0.484 . . . . 75.0 112.306 -178.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -80.5 -22.12 41.27 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.108 0.411 . . . . 75.0 112.108 -174.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -86.58 -45.95 10.57 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.999 -0.371 . . . . 75.0 109.999 177.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . 0.536 ' CE1' ' HE1' ' A' ' 639' ' ' MET . 88.2 t80 -55.28 -52.94 61.81 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.358 0.663 . . . . 75.0 111.72 178.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.472 ' HE2' HD13 ' A' ' 603' ' ' LEU . 11.0 m-85 -71.27 -19.78 62.3 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.062 0.764 . . . . 75.0 113.062 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -84.88 -34.07 22.67 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.441 0.162 . . . . 75.0 111.272 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.67 -40.91 98.0 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.369 0.667 . . . . 50.0 112.288 174.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.64 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 1.2 tp -73.64 -25.56 60.35 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.866 -0.606 . . . . 75.0 112.449 174.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -84.12 -27.16 28.37 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.107 0.41 . . . . 25.0 112.107 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -74.62 -31.79 62.1 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.098 0.407 . . . . 75.0 112.098 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -68.02 -29.83 68.93 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.114 -0.699 . . . . 75.0 109.114 171.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 27.6 mt -69.84 -31.0 46.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 114.9 -1.045 . . . . 50.0 110.777 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -85.39 -33.52 21.96 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.472 -0.331 . . . . 75.0 111.165 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.25 -37.4 69.12 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.108 0.41 . . . . 75.0 112.108 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.514 HG22 HG12 ' A' ' 611' ' ' ILE . 81.8 mt -69.69 -30.56 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 123.439 0.462 . . . . 50.0 109.974 177.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -70.63 -19.93 62.77 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.405 -0.816 . . . . 50.0 111.999 173.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -80.46 -38.03 30.78 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.854 0.462 . . . . 75.0 111.822 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.83 -44.95 79.79 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.689 0.796 . . . . 75.0 111.802 -176.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 76.0 mt -69.98 -19.51 63.35 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.989 -0.551 . . . . 50.0 112.212 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.543 0.703 0 C-N-CA 122.74 0.416 . . . . 75.0 111.061 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.465 0.304 0 CA-C-O 120.899 0.38 . . . . 75.0 110.69 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 95.4 mt -87.19 -32.32 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 115.29 -0.868 . . . . 50.0 111.272 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.77 -11.91 58.8 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.24 0.83 . . . . 50.0 113.24 -174.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -100.99 -11.16 19.91 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.576 -0.738 . . . . 75.0 109.726 175.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 93.3 mmm -93.29 -27.89 16.54 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.254 -0.885 . . . . 50.0 110.761 172.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -90.77 -19.67 23.24 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.624 -0.716 . . . . 50.0 111.68 -177.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -72.49 -29.27 63.49 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.541 0.21 . . . . 75.0 110.882 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.8 p -81.91 -23.31 36.31 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.945 -0.571 . . . . 50.0 111.209 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -80.13 -31.2 39.1 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.243 -0.435 . . . . 25.0 111.564 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 545' ' ' LEU . . . . . 0.479 HD11 ' CD2' ' A' ' 612' ' ' PHE . 96.7 mt -82.41 -18.09 43.15 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.008 -0.542 . . . . 50.0 111.276 175.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 16.5 mt -87.1 -28.64 22.39 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.604 -0.726 . . . . 75.0 110.924 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.5 p -76.37 -20.84 56.78 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.95 -0.568 . . . . 75.0 112.262 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -91.27 -13.83 31.99 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.767 0.655 . . . . 75.0 112.767 -176.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 38.5 mt -104.89 -29.93 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 112.287 0.477 . . . . 50.0 112.287 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 96.8 p -105.13 -41.52 5.54 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.216 0.323 . . . . 50.0 111.484 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 44.8 m . . . . . 0 N--CA 1.483 1.218 0 C-N-CA 123.943 0.897 . . . . 50.0 112.179 -179.338 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 114.176 0.43 . . . . 50.0 114.176 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 60.2 p-90 -70.19 -33.3 71.55 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.002 0.521 . . . . 50.0 112.361 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -62.99 -36.68 84.35 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.305 0.642 . . . . 50.0 112.207 -177.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -91.05 -4.97 55.91 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 122.824 0.45 . . . . 50.0 110.937 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -104.97 -26.14 12.29 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.934 -0.576 . . . . 75.0 111.728 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 39.6 t -78.43 129.66 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 120.925 0.393 . . . . 50.0 110.317 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 66.6 p -111.27 -175.88 2.81 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.336 -0.847 . . . . 25.0 111.565 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -77.66 -17.36 57.79 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.644 -0.707 . . . . 75.0 109.758 168.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -77.69 -30.68 52.01 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 115.77 -0.65 . . . . 75.0 111.635 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 55.7 tp -63.95 -44.92 91.36 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 112.248 0.462 . . . . 75.0 112.248 174.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.404 ' O ' ' OE1' ' A' ' 636' ' ' GLU . 99.8 mtt180 -64.74 -25.73 68.06 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 111.951 0.352 . . . . 75.0 111.951 -177.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 69.9 p -84.63 -31.11 24.4 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.141 -0.481 . . . . 75.0 111.507 177.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -80.61 -19.98 44.25 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.92 0.488 . . . . 50.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.584 ' HA ' ' HB2' ' A' ' 606' ' ' LYS . 52.3 mt -83.32 -36.54 24.34 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.916 -0.583 . . . . 75.0 110.908 177.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.404 HG22 ' OE1' ' A' ' 636' ' ' GLU . 2.8 t -68.2 -30.78 49.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 124.109 0.964 . . . . 50.0 110.35 169.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -80.06 -17.34 52.98 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.849 -0.614 . . . . 50.0 110.053 173.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.584 ' HB2' ' HA ' ' A' ' 603' ' ' LEU . 20.2 mttt -82.78 -21.8 34.48 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.376 -0.829 . . . . 75.0 109.346 173.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.62 ' CD1' ' HB1' ' A' ' 632' ' ' ALA . 0.3 OUTLIER -86.35 -54.46 4.42 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.417 -1.265 . . . . 50.0 111.645 -176.124 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.33 -30.34 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.147 0.579 . . . . 50.0 111.913 -174.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -79.13 -34.11 43.66 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.979 0.419 . . . . 75.0 110.684 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -73.24 -36.13 66.37 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.037 -0.983 . . . . 25.0 111.802 177.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 84.4 mt -78.29 -52.38 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 CA-C-N 116.357 -0.383 . . . . 75.0 110.032 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.652 ' CD2' HD13 ' B' ' 545' ' ' LEU . 89.9 t80 -138.6 105.82 7.65 Favored Pre-proline 0 CA--C 1.548 0.901 0 O-C-N 123.121 0.263 . . . . 50.0 110.329 172.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -68.12 135.31 34.24 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.336 2.024 . . . . 50.0 112.16 173.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 60.7 p -102.03 113.55 65.82 Favored Pre-proline 0 CA--C 1.536 0.42 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -63.94 -49.79 3.64 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 123.254 2.636 . . . . 75.0 112.361 168.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -106.85 121.7 44.07 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 114.907 -1.042 . . . . 50.0 111.073 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -61.47 -10.4 16.09 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 123.068 2.512 . . . . 50.0 114.318 176.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -78.25 -8.25 58.13 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.507 0.558 . . . . 25.0 112.507 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -85.15 -9.08 58.27 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.263 0.468 . . . . 25.0 112.263 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 59.3 mt -82.2 1.7 35.19 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.427 0.529 . . . . 50.0 112.427 -175.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.42 14.43 30.12 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 121.076 0.465 . . . . 75.0 110.532 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -90.48 154.47 19.62 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.781 -0.645 . . . . 75.0 110.72 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -79.55 -33.94 41.43 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.421 -0.809 . . . . 75.0 110.8 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.417 ' HD3' ' HB1' ' B' ' 544' ' ' ALA . 91.4 mtt-85 -70.67 -20.05 62.73 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 114.672 -1.149 . . . . 75.0 111.68 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 53.2 tpp -82.38 -37.95 24.87 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 122.92 0.488 . . . . 75.0 110.382 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.2 -21.17 66.04 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.578 0.751 . . . . 75.0 111.983 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -69.17 -43.08 74.97 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 112.458 0.54 . . . . 50.0 112.458 -176.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.518 HD23 ' CD2' ' A' ' 631' ' ' TYR . 0.5 OUTLIER -86.36 -21.95 26.93 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.476 0.179 . . . . 50.0 111.184 179.597 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 16.6 t -55.86 -32.32 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 N-CA-C 109.349 -0.612 . . . . 50.0 109.349 167.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -81.36 -19.01 43.62 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.573 -1.194 . . . . 25.0 111.467 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . 0.518 ' CD2' HD23 ' A' ' 628' ' ' LEU . 20.3 m-30 -77.56 -38.38 48.66 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.024 -0.534 . . . . 75.0 110.502 171.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . 0.62 ' HB1' ' CD1' ' A' ' 607' ' ' LEU . . . -80.12 -40.68 26.96 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.024 -0.535 . . . . 25.0 111.476 -176.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -53.16 -25.35 13.27 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.371 0.878 . . . . 75.0 113.371 -173.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.434 ' HE3' ' OD1' ' A' ' 638' ' ' ASP . 55.1 tptt -85.56 -35.57 20.99 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.955 0.502 . . . . 75.0 111.91 -177.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.632 ' O ' ' HG3' ' A' ' 639' ' ' MET . 9.7 m -71.21 -21.65 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 N-CA-C 113.455 0.909 . . . . 50.0 113.455 -163.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.453 ' HA ' ' HE1' ' A' ' 639' ' ' MET . 4.1 pt-20 -68.76 -41.52 78.76 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 122.637 0.375 . . . . 75.0 111.378 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -78.72 -21.72 68.26 Favored Glycine 0 C--N 1.347 1.174 0 CA-C-N 115.928 -0.578 . . . . 50.0 113.773 -176.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . 0.434 ' OD1' ' HE3' ' A' ' 634' ' ' LYS . 94.8 m-20 -78.6 -18.94 53.79 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 122.439 0.295 . . . . 75.0 111.302 176.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.632 ' HG3' ' O ' ' A' ' 635' ' ' VAL . 27.8 mtm -76.69 -20.74 56.28 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.243 -0.435 . . . . 75.0 111.501 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.566 ' CD2' ' C ' ' A' ' 640' ' ' TYR . 0.5 OUTLIER -73.43 -31.3 63.76 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.749 -0.66 . . . . 50.0 111.585 -176.762 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -88.52 -21.49 24.11 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.102 -0.499 . . . . 75.0 111.999 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 67.2 p -96.02 -36.19 11.12 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.257 0.466 . . . . 50.0 112.257 -176.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.6 142.36 27.9 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -178.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -107.52 -20.68 13.17 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.672 -0.695 . . . . 50.0 110.752 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.2 p -131.68 156.12 46.44 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.19 -0.459 . . . . 50.0 110.007 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -74.26 -18.61 60.7 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.069 -0.514 . . . . 75.0 112.175 -173.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -81.21 -23.09 38.36 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.212 0.32 . . . . 75.0 110.645 175.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -86.55 -43.09 12.98 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.096 -0.502 . . . . 75.0 109.817 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -50.34 -57.77 7.18 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.985 0.914 . . . . 75.0 111.599 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -63.33 -15.18 56.54 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.06 0.763 . . . . 75.0 113.06 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -22.94 33.46 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.105 0.409 . . . . 50.0 112.105 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 86.8 mt -70.93 -45.42 64.24 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 112.183 0.438 . . . . 75.0 112.183 177.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.539 HD13 HD11 ' A' ' 607' ' ' LEU . 0.3 OUTLIER -68.42 -30.03 68.83 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 112.023 0.379 . . . . 75.0 112.023 177.478 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -78.68 -29.74 45.77 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.461 0.541 . . . . 25.0 112.461 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -76.96 -30.25 55.92 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.241 0.46 . . . . 75.0 112.241 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -71.57 -27.46 63.17 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.032 -0.729 . . . . 75.0 109.032 171.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 12.1 mt -72.22 -29.81 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 114.864 -1.062 . . . . 50.0 110.904 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -80.84 -36.78 31.04 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 123.074 0.234 . . . . 75.0 110.685 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -69.93 -34.72 73.84 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.891 0.476 . . . . 75.0 112.139 -178.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 69.4 mt -78.16 -35.32 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-N 116.132 -0.486 . . . . 50.0 110.159 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -69.96 -22.84 63.13 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.997 -0.547 . . . . 50.0 112.237 175.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -71.55 -28.81 64.11 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.522 0.564 . . . . 75.0 112.522 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.9 -43.77 24.15 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 123.248 0.619 . . . . 75.0 111.166 -178.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.86 -19.65 64.25 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.789 0.663 . . . . 50.0 112.789 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 N--CA 1.475 0.786 0 C-N-CA 122.429 0.292 . . . . 50.0 111.665 176.411 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 112.311 0.486 . . . . 50.0 112.311 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 66.5 mt -86.85 -33.68 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 123.204 0.315 . . . . 50.0 111.602 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.2 -11.46 59.41 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.604 0.594 . . . . 50.0 112.604 -176.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -102.24 -6.03 23.63 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.341 -0.845 . . . . 75.0 109.647 173.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 56.0 ttm -95.92 -36.17 11.18 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.134 -0.939 . . . . 75.0 109.608 175.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -84.01 -24.06 30.69 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.52 -0.764 . . . . 50.0 112.626 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -68.03 -26.49 65.9 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 120.64 0.257 . . . . 75.0 111.093 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.7 p -82.13 -24.75 34.92 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.835 -0.621 . . . . 50.0 111.324 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 544' ' ' ALA . . . . . 0.417 ' HB1' ' HD3' ' A' ' 624' ' ' ARG . . . -84.32 -22.77 30.52 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.243 -0.435 . . . . 25.0 112.07 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 545' ' ' LEU . . . . . 0.652 HD13 ' CD2' ' A' ' 612' ' ' PHE . 94.0 mt -77.5 -25.94 50.78 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.242 0.46 . . . . 75.0 112.242 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.52 -29.05 21.62 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.403 -0.362 . . . . 50.0 111.185 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.6 p -75.39 -17.01 60.31 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.514 -0.766 . . . . 75.0 112.796 -178.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -88.82 -11.2 45.5 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.51 0.559 . . . . 75.0 112.51 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.0 mt -102.75 -31.75 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 116.021 -0.536 . . . . 50.0 110.459 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 67.1 p -95.36 -37.25 11.04 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.29 0.369 . . . . 50.0 111.493 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.737 -0.649 . . . . 50.0 110.887 -179.828 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.776 0 N-CA-C 115.15 0.82 . . . . 50.0 115.15 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -68.04 -38.04 82.06 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.578 0.584 . . . . 50.0 112.578 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -72.85 -13.05 61.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 122.325 0.25 . . . . 50.0 111.397 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -82.63 -22.28 34.76 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.36 -0.382 . . . . 50.0 111.99 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -115.76 -22.12 9.29 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.04 0.755 . . . . 50.0 113.04 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 77.3 t -81.81 126.36 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 120.961 0.41 . . . . 50.0 110.4 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 48.1 p -112.31 -174.31 2.43 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.128 -0.942 . . . . 25.0 111.351 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -72.54 -18.62 61.62 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.59 -0.732 . . . . 75.0 109.865 169.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -82.0 -33.45 30.11 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 115.756 -0.656 . . . . 50.0 111.484 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.457 HD21 ' OH ' ' A' ' 650' ' ' TYR . 32.5 tp -64.36 -48.14 76.65 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 117.673 0.215 . . . . 75.0 111.189 173.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.491 ' HG2' ' OE2' ' A' ' 636' ' ' GLU . 81.6 mtp180 -55.0 -28.3 50.98 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.02 0.528 . . . . 75.0 111.978 -176.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.8 p -82.17 -31.56 30.4 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.462 -0.79 . . . . 75.0 111.566 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -81.09 -27.13 35.75 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.69 0.396 . . . . 50.0 110.673 177.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 21.9 mt -67.01 -31.89 72.73 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.837 0.855 . . . . 50.0 110.569 172.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 28.0 t -83.48 -32.34 9.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 114.945 -1.025 . . . . 50.0 110.917 176.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.456 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 80.4 t60 -76.28 -16.8 59.71 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.231 0.332 . . . . 50.0 110.694 176.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -85.11 -26.2 27.05 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 122.135 0.969 . . . . 75.0 108.656 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 47.3 tp -87.18 -40.56 14.48 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 113.066 -1.879 . . . . 75.0 111.509 -176.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 77.7 t -76.66 -23.94 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.178 0.591 . . . . 50.0 111.322 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 97.0 mm-40 -80.27 -27.52 38.58 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.761 0.315 . . . . 75.0 110.939 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -74.67 -30.78 61.71 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.591 -0.731 . . . . 25.0 111.371 175.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.483 HG12 HG23 ' A' ' 660' ' ' ILE . 75.9 mt -83.19 -53.95 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-N 116.09 -0.505 . . . . 75.0 109.691 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.401 ' HE2' ' HB ' ' A' ' 614' ' ' THR . 25.0 t80 -139.54 104.37 7.05 Favored Pre-proline 0 CA--C 1.548 0.878 0 O-C-N 123.086 0.241 . . . . 50.0 110.568 171.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.53 131.5 9.46 Favored 'Trans proline' 0 C--N 1.373 1.868 0 C-N-CA 122.479 2.12 . . . . 75.0 112.825 175.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.401 ' HB ' ' HE2' ' A' ' 612' ' ' PHE . 7.9 t -151.04 126.87 4.97 Favored Pre-proline 0 CA--C 1.545 0.773 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -53.18 -50.13 15.09 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 123.798 2.999 . . . . 75.0 113.981 170.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -71.14 116.07 42.99 Favored Pre-proline 0 N--CA 1.473 0.694 0 CA-C-N 115.453 -0.794 . . . . 50.0 112.288 -177.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.25 -10.54 29.0 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.719 2.28 . . . . 50.0 113.791 173.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -74.31 -10.14 59.29 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.753 0.649 . . . . 25.0 112.753 -176.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.18 -14.98 52.32 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 122.517 0.327 . . . . 25.0 111.68 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 72.4 mt -87.31 -0.27 56.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.875 -0.602 . . . . 75.0 112.012 -177.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -106.18 14.32 27.77 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.104 0.478 . . . . 50.0 110.595 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -87.66 159.82 18.37 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.805 -0.634 . . . . 75.0 110.898 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -73.26 -50.82 20.2 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.824 -0.625 . . . . 75.0 111.323 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -57.92 -30.63 66.08 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.453 0.701 . . . . 50.0 112.591 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.633 ' N ' HD23 ' B' ' 545' ' ' LEU . 50.5 tpp -81.46 -36.25 29.59 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.065 -0.516 . . . . 75.0 111.597 -177.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.78 -21.38 63.01 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 112.572 0.582 . . . . 75.0 112.572 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -76.72 -25.2 53.28 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 120.718 0.294 . . . . 50.0 111.361 175.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 631' ' ' TYR . 79.5 mt -86.04 -42.15 14.21 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.834 -0.621 . . . . 75.0 109.877 175.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.64 -34.28 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 123.311 0.644 . . . . 50.0 110.654 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -79.07 -18.78 52.82 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.505 -0.77 . . . . 25.0 111.485 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . 0.503 ' HH ' HG13 ' B' ' 537' ' ' ILE . 17.3 m-30 -76.04 -37.2 58.61 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.931 -0.577 . . . . 75.0 110.742 172.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -83.55 -36.35 24.07 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.232 -0.44 . . . . 25.0 111.593 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -67.51 -20.01 65.39 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.207 0.603 . . . . 75.0 111.228 177.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -85.85 -36.28 20.1 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.367 -0.833 . . . . 75.0 111.74 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.514 HG12 ' HD2' ' A' ' 656' ' ' LYS . 18.5 t -73.05 -45.05 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 112.681 0.622 . . . . 50.0 112.681 -172.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.491 ' OE2' ' HG2' ' A' ' 600' ' ' ARG . 13.8 tm-20 -57.08 -29.57 63.59 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.423 0.689 . . . . 75.0 111.953 -177.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.89 -25.05 75.71 Favored Glycine 0 C--N 1.347 1.19 0 O-C-N 123.205 0.316 . . . . 50.0 113.472 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -84.85 -19.08 32.95 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.717 0.407 . . . . 75.0 111.099 176.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.636 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 3.9 mtm -71.57 -35.87 70.73 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.145 -0.48 . . . . 75.0 112.104 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.425 ' CE2' ' HG3' ' A' ' 641' ' ' GLU . 0.0 OUTLIER -75.69 -24.56 56.27 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.126 -0.488 . . . . 50.0 110.735 178.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . 0.425 ' HG3' ' CE2' ' A' ' 640' ' ' TYR . 75.0 mt-10 -88.64 -26.48 21.86 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.948 0.899 . . . . 50.0 111.086 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 85.7 p -96.45 -41.38 8.62 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.091 0.404 . . . . 75.0 112.091 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.41 140.83 29.13 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.678 0.275 . . . . 25.0 111.722 -176.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -109.77 -6.38 15.29 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.767 -0.651 . . . . 50.0 111.017 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 74.9 m -131.56 157.61 43.16 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.863 0.363 . . . . 50.0 110.585 -175.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -72.06 -29.81 64.5 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.542 -0.754 . . . . 50.0 111.909 -176.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.53 -23.52 37.2 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.236 0.335 . . . . 75.0 111.301 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -86.35 -39.89 15.99 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 122.594 0.358 . . . . 75.0 110.184 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -57.01 -51.03 70.88 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.236 0.614 . . . . 75.0 111.339 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.457 ' OH ' HD21 ' A' ' 599' ' ' LEU . 24.8 m-85 -75.52 -16.02 60.33 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.386 0.884 . . . . 75.0 113.386 179.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -81.64 -46.81 13.84 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.074 0.15 . . . . 50.0 111.385 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 78.9 mt -51.73 -39.56 58.67 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.67 0.788 . . . . 50.0 112.901 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.636 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -72.59 -38.66 67.8 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.948 -0.569 . . . . 75.0 111.773 176.113 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.72 -24.96 64.53 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.333 -0.394 . . . . 25.0 111.23 175.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -74.38 -40.88 61.8 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.679 -0.691 . . . . 75.0 111.578 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.514 ' HD2' HG12 ' A' ' 635' ' ' VAL . 24.2 mttp -68.46 -24.95 64.76 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.777 -0.453 . . . . 75.0 109.777 174.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 5.2 mt -70.57 -31.99 48.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.477 -0.783 . . . . 50.0 110.224 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -85.34 -33.28 22.08 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.988 -0.551 . . . . 75.0 111.256 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -74.57 -33.06 62.59 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.535 0.569 . . . . 75.0 112.535 -176.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.483 HG23 HG12 ' A' ' 611' ' ' ILE . 97.3 mt -76.04 -28.66 18.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.012 0.435 . . . . 50.0 109.841 176.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -69.38 -19.92 63.83 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.533 -0.758 . . . . 50.0 112.114 172.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -75.65 -40.23 56.48 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.648 0.379 . . . . 75.0 111.918 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -71.24 -43.05 68.04 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.915 0.486 . . . . 50.0 112.168 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.25 -19.24 64.38 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 112.488 0.551 . . . . 50.0 112.488 171.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 CA--C 1.54 0.578 0 C-N-CA 122.445 0.298 . . . . 75.0 110.655 178.906 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 N--CA 1.464 0.252 0 N-CA-C 111.746 0.276 . . . . 50.0 111.746 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 537' ' ' ILE . . . . . 0.503 HG13 ' HH ' ' A' ' 631' ' ' TYR . 48.8 mm -86.65 -32.55 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 123.232 0.333 . . . . 50.0 111.251 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 538' ' ' ALA . . . . . 0.536 ' O ' ' HB2' ' B' ' 542' ' ' PHE . . . -81.28 -11.21 59.42 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.437 0.903 . . . . 50.0 113.437 -171.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -106.42 -3.44 21.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.935 -0.575 . . . . 75.0 109.95 174.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 82.8 mtp -102.78 -29.43 11.48 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.189 -0.914 . . . . 50.0 110.682 173.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 541' ' ' ASP . . . . . 0.521 ' HB3' HD11 ' B' ' 545' ' ' LEU . 0.6 OUTLIER -95.55 -19.77 19.53 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.538 -0.755 . . . . 50.0 111.298 -177.248 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 542' ' ' PHE . . . . . 0.536 ' HB2' ' O ' ' B' ' 538' ' ' ALA . 50.4 t80 -69.65 -17.73 63.52 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 111.861 0.319 . . . . 75.0 111.861 -176.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 543' ' ' SER . . . . . 0.408 ' HG ' ' N ' ' B' ' 544' ' ' ALA . 91.4 p -81.23 -40.0 24.48 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.417 0.448 . . . . 50.0 112.148 -176.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 544' ' ' ALA . . . . . 0.408 ' N ' ' HG ' ' B' ' 543' ' ' SER . . . -84.82 -21.96 29.66 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.364 -0.38 . . . . 25.0 111.329 176.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 545' ' ' LEU . . . . . 0.633 HD23 ' N ' ' A' ' 625' ' ' MET . 33.5 mt -85.49 -24.98 27.13 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.436 -0.802 . . . . 75.0 112.23 -176.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 66.5 tp -87.65 -18.22 30.09 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 117.924 0.329 . . . . 75.0 111.461 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.8 p -75.6 -16.13 60.27 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.039 0.535 . . . . 75.0 112.097 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -76.64 -11.29 59.83 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.622 0.601 . . . . 75.0 112.622 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 43.1 mm -95.54 -31.94 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 116.122 -0.49 . . . . 50.0 110.603 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 76.4 p -93.6 -37.86 11.65 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.273 0.358 . . . . 50.0 111.56 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 39.0 m . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.748 -0.644 . . . . 50.0 110.893 179.703 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 112.501 -0.24 . . . . 25.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 95.2 t -90.4 135.42 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 122.479 0.312 . . . . 75.0 110.16 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -91.04 133.6 35.18 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.791 -0.64 . . . . 50.0 111.452 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.563 ' HD2' ' O ' ' A' ' 644' ' ' ASN . 52.2 mttt -109.66 -174.02 2.4 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.744 -0.662 . . . . 75.0 111.099 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -59.88 -38.53 94.21 Favored Glycine 0 C--N 1.347 1.174 0 N-CA-C 114.404 0.522 . . . . 50.0 114.404 -176.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 55.9 p-90 -58.76 -36.46 74.42 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.317 0.647 . . . . 50.0 112.702 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -65.13 -39.23 92.74 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.033 0.533 . . . . 50.0 111.936 -175.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -90.82 -3.32 57.48 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.296 0.372 . . . . 75.0 111.583 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -103.52 -26.03 12.99 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.921 -0.581 . . . . 75.0 111.548 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.495 ' HA ' HD11 ' A' ' 599' ' ' LEU . 18.0 t -79.97 127.45 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 N-CA-C 110.058 -0.349 . . . . 50.0 110.058 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 42.8 p -108.35 179.81 4.1 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.522 -0.763 . . . . 25.0 111.341 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.04 -18.16 56.18 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.738 -0.665 . . . . 75.0 110.286 170.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . 0.458 ' O ' ' HD2' ' A' ' 602' ' ' HIS . 73.5 m-20 -85.11 -28.22 25.73 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.927 -0.579 . . . . 50.0 111.074 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.495 HD11 ' HA ' ' A' ' 595' ' ' VAL . 25.2 mt -69.11 -49.03 60.77 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 122.9 0.125 . . . . 75.0 111.069 173.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -57.0 -21.84 33.83 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.677 0.621 . . . . 75.0 112.677 -176.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 83.8 p -84.25 -32.58 24.37 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.16 -0.473 . . . . 75.0 111.293 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . 0.458 ' HD2' ' O ' ' A' ' 598' ' ' ASP . 90.6 m-70 -82.38 -20.31 37.42 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.828 0.451 . . . . 50.0 110.957 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.517 HD22 ' CE2' ' A' ' 650' ' ' TYR . 13.0 mt -74.44 -32.91 62.79 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.821 0.848 . . . . 50.0 110.378 176.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 96.7 t -83.02 -32.74 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-N 114.857 -1.065 . . . . 50.0 110.299 176.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -74.67 -16.96 60.75 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.143 -0.48 . . . . 50.0 110.236 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -83.83 -24.77 30.8 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.369 -0.832 . . . . 75.0 109.042 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 653' ' ' LEU . 2.4 mt -86.69 -39.71 15.78 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.164 -1.38 . . . . 75.0 111.642 -177.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 3.6 p -73.4 -24.3 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 122.99 0.516 . . . . 50.0 111.42 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -81.8 -26.91 33.99 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.613 0.244 . . . . 75.0 111.557 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -80.62 -34.23 35.24 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.892 -0.595 . . . . 25.0 111.585 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.444 HG12 HG23 ' A' ' 660' ' ' ILE . 95.2 mt -77.17 -48.99 23.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 116.245 -0.434 . . . . 75.0 109.929 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.45 ' CG ' HD13 ' B' ' 545' ' ' LEU . 67.3 t80 -141.74 114.42 6.6 Favored Pre-proline 0 CA--C 1.547 0.833 0 O-C-N 123.241 0.338 . . . . 50.0 110.277 172.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . 0.404 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 51.8 Cg_exo -63.61 141.13 78.54 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 122.383 2.055 . . . . 50.0 112.241 173.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 616' ' ' ASP . 27.1 m -90.04 113.24 56.45 Favored Pre-proline 0 C--O 1.237 0.418 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 84.6 Cg_exo -62.61 -52.98 2.0 Allowed 'Trans proline' 0 C--N 1.368 1.567 0 C-N-CA 123.489 2.793 . . . . 75.0 112.588 168.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.455 ' O ' ' CG2' ' A' ' 614' ' ' THR . 7.6 t70 -126.27 142.33 42.46 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 114.929 -1.032 . . . . 75.0 111.045 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . 0.409 ' HD2' ' OD1' ' A' ' 616' ' ' ASP . 42.4 Cg_exo -57.58 -12.77 12.0 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 123.883 3.055 . . . . 50.0 113.986 174.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -82.88 -19.61 37.1 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -66.0 -18.47 65.36 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.471 0.545 . . . . 25.0 112.471 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 95.7 mt -79.19 -12.17 59.97 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.244 0.461 . . . . 50.0 112.244 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -106.04 14.71 27.46 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.058 0.456 . . . . 75.0 110.435 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -86.4 163.2 17.75 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.817 -0.629 . . . . 75.0 110.905 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.16 -52.81 9.32 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 122.737 0.415 . . . . 75.0 111.586 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 16.4 mmm-85 -61.06 -30.18 70.17 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 112.701 0.63 . . . . 50.0 112.701 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.403 ' HE2' ' CD2' ' A' ' 612' ' ' PHE . 61.6 tpp -72.81 -40.31 65.96 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.489 0.316 . . . . 75.0 110.853 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . 0.415 ' HA ' ' HB ' ' A' ' 629' ' ' VAL . 38.8 tt0 -64.47 -20.12 65.99 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.919 0.711 . . . . 50.0 112.919 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -68.72 -41.87 78.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.512 0.56 . . . . 50.0 112.512 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 93.2 mt -86.29 -21.77 27.14 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.566 0.222 . . . . 50.0 110.722 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.486 HG13 ' HD2' ' A' ' 633' ' ' LYS . 2.2 t -55.26 -32.77 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 109.383 -0.599 . . . . 50.0 109.383 167.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -77.98 -18.93 55.38 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 114.508 -1.224 . . . . 25.0 111.522 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -75.91 -42.68 48.21 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.086 -0.506 . . . . 75.0 110.154 169.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.1 -23.83 30.59 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.411 0.444 . . . . 25.0 112.048 -174.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.486 ' HD2' HG13 ' A' ' 629' ' ' VAL . 32.0 mttt -67.78 -24.6 65.34 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.093 0.473 . . . . 75.0 111.284 174.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -85.87 -36.55 19.89 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.001 -1.0 . . . . 75.0 112.217 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.81 -35.73 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 113.472 0.915 . . . . 50.0 113.472 -168.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -51.71 -38.31 54.61 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.884 0.473 . . . . 75.0 112.199 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.36 -19.64 77.69 Favored Glycine 0 C--N 1.347 1.174 0 CA-C-N 116.002 -0.544 . . . . 50.0 113.569 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -82.35 -19.37 39.41 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.53 0.332 . . . . 50.0 110.495 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.494 ' HB2' ' HE2' ' A' ' 639' ' ' MET . 2.7 mtp -82.77 -22.93 34.14 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.278 -0.419 . . . . 75.0 111.351 175.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -77.22 -31.74 55.38 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.964 -0.562 . . . . 50.0 111.273 -176.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -89.06 -26.03 21.62 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.995 -0.548 . . . . 75.0 111.864 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 91.2 p -95.31 -39.67 9.93 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.664 0.616 . . . . 50.0 112.664 -173.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.35 145.95 24.56 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 111.847 0.314 . . . . 25.0 111.847 -176.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.563 ' O ' ' HD2' ' A' ' 589' ' ' LYS . 68.6 m-80 -116.77 -6.22 11.55 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.683 -0.689 . . . . 75.0 111.876 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 80.1 p -132.6 163.94 27.77 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.526 -0.307 . . . . 75.0 110.928 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 73.5 ttt-85 -72.7 -28.28 62.58 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.941 -0.572 . . . . 50.0 111.459 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.38 -25.28 36.42 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 123.252 0.345 . . . . 75.0 111.565 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -86.08 -45.36 11.47 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 110.183 -0.303 . . . . 75.0 110.183 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -52.89 -55.1 25.72 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.372 0.669 . . . . 75.0 111.491 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.517 ' CE2' HD22 ' A' ' 603' ' ' LEU . 13.0 m-30 -67.83 -16.13 63.95 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.197 0.814 . . . . 75.0 113.197 177.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -84.63 -36.87 21.7 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.487 0.315 . . . . 50.0 111.758 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.71 -37.02 85.26 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.017 0.527 . . . . 50.0 112.112 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.597 ' CD1' HD13 ' A' ' 607' ' ' LEU . 6.2 tt -72.96 -27.68 61.97 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.994 -0.548 . . . . 75.0 112.019 172.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -82.02 -28.0 32.76 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.279 0.474 . . . . 25.0 112.279 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -71.85 -35.77 69.95 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 112.355 0.502 . . . . 75.0 112.355 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -65.02 -29.75 70.68 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 109.512 -0.551 . . . . 75.0 109.512 171.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 4.3 mt -68.88 -38.97 79.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-N 115.242 -0.89 . . . . 50.0 111.129 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -84.49 -29.22 26.18 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.957 0.408 . . . . 75.0 110.446 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -74.88 -28.22 60.56 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 115.152 -0.931 . . . . 50.0 112.277 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.444 HG23 HG12 ' A' ' 611' ' ' ILE . 91.0 mt -82.27 -27.58 9.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 109.904 -0.406 . . . . 50.0 109.904 175.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -65.19 -19.4 65.96 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.709 -0.678 . . . . 50.0 112.236 173.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -73.56 -43.02 60.85 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 122.862 0.465 . . . . 75.0 112.056 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -70.09 -39.49 75.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 122.978 0.511 . . . . 50.0 112.339 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.17 -21.65 66.35 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.299 0.481 . . . . 50.0 112.299 172.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -86.33 -19.97 29.01 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 122.615 0.366 . . . . 75.0 110.929 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -75.49 -26.28 58.03 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.66 0.384 . . . . 50.0 111.361 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 671' ' ' ARG . 33.8 mmtm -86.47 -17.41 34.3 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.022 -0.535 . . . . 75.0 111.319 175.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -84.49 -47.7 10.35 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.899 -0.591 . . . . 75.0 111.722 -174.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -91.65 -48.24 6.94 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 111.671 0.249 . . . . 75.0 111.671 -174.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 87.2 p -101.98 -11.36 19.0 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.439 0.533 . . . . 75.0 112.439 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.492 ' HA ' ' O ' ' A' ' 667' ' ' LYS . 95.6 mtt-85 68.55 1.19 2.88 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.248 1.019 . . . . 75.0 112.369 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 117.963 -1.017 . . . . 50.0 110.734 177.703 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.501 -0.24 . . . . 25.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 42.2 t 62.05 119.27 0.02 OUTLIER Pre-proline 0 N--CA 1.485 1.315 0 C-N-CA 124.269 1.027 . . . . 50.0 111.937 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -74.41 -22.47 16.17 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.374 2.049 . . . . 75.0 113.884 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -177.54 -51.28 0.07 OUTLIER Glycine 0 C--N 1.339 0.725 0 C-N-CA 121.392 -0.432 . . . . 50.0 112.81 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 85.1 t80 59.42 87.08 0.14 Allowed Pre-proline 0 CA--C 1.555 1.166 0 C-N-CA 123.97 0.908 . . . . 50.0 111.384 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -69.04 153.99 71.32 Favored 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 122.772 2.314 . . . . 75.0 113.077 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -98.85 130.98 45.29 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.827 -0.624 . . . . 50.0 110.394 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 120.85 101.57 1.8 Allowed Glycine 0 C--N 1.338 0.645 0 CA-C-N 115.787 -0.642 . . . . 50.0 112.441 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . 0.562 ' C ' ' H ' ' B' ' 529' ' ' SER . 79.1 mt -125.44 129.87 50.7 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.691 -0.485 . . . . 75.0 109.691 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 52.5 mt 61.46 -12.76 0.05 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.641 1.177 . . . . 50.0 112.615 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 529' ' ' SER . . . . . 0.562 ' H ' ' C ' ' B' ' 527' ' ' LEU . 77.1 p -128.18 15.08 6.75 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.013 -0.54 . . . . 50.0 111.083 178.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -95.2 -48.73 2.36 Favored Glycine 0 C--N 1.342 0.906 0 CA-C-N 116.03 -0.532 . . . . 75.0 113.109 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -123.67 -0.6 8.58 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.07 0.462 . . . . 50.0 110.334 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -101.74 -4.4 26.49 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.403 -0.817 . . . . 75.0 112.188 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.06 -33.85 16.99 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.382 -0.826 . . . . 75.0 111.833 -175.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -87.91 -12.01 45.98 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.708 0.289 . . . . 75.0 111.336 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 84.6 p -67.92 -20.38 65.08 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.717 -0.674 . . . . 75.0 111.401 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 77.9 p -83.35 -28.39 29.03 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.733 -0.667 . . . . 75.0 110.679 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 81.5 mt -86.82 -25.65 6.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 115.362 -0.836 . . . . 50.0 111.251 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.26 -11.3 59.41 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.771 0.656 . . . . 50.0 112.771 -175.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -102.5 -11.18 18.74 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.366 -0.834 . . . . 75.0 109.614 173.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 92.8 mtp -89.25 -29.01 19.53 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.255 -0.884 . . . . 50.0 110.926 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -90.95 -21.15 21.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.84 -0.618 . . . . 50.0 111.629 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -76.85 -28.01 55.32 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.102 0.251 . . . . 50.0 110.98 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 77.1 p -81.78 -24.78 35.77 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.097 -0.501 . . . . 50.0 111.616 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.29 -22.58 30.65 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.184 0.438 . . . . 25.0 112.184 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.45 HD13 ' CG ' ' A' ' 612' ' ' PHE . 79.1 mt -81.05 -22.91 38.94 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.225 0.454 . . . . 50.0 112.225 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.49 -32.33 19.51 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.834 0.349 . . . . 50.0 110.989 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.6 p -76.27 -16.95 59.68 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.481 -0.782 . . . . 75.0 112.523 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -91.98 -11.61 35.61 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.827 0.677 . . . . 75.0 112.827 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 86.4 mt -101.93 -32.95 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.22 -0.445 . . . . 50.0 111.956 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 95.4 p -99.13 -34.6 10.31 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 123.317 0.386 . . . . 50.0 111.25 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 117.978 -1.01 . . . . 50.0 112.26 179.777 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.499 -0.24 . . . . 25.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 73.3 t -90.16 140.83 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 109.869 -0.419 . . . . 75.0 109.869 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -92.55 124.06 36.31 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.868 -0.606 . . . . 75.0 110.515 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -127.69 131.35 49.79 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.248 -0.433 . . . . 75.0 111.27 -177.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -80.84 -19.15 68.43 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-N 115.579 -0.737 . . . . 50.0 113.856 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . 0.489 ' CZ3' ' HD2' ' A' ' 646' ' ' ARG . 91.0 m95 -84.46 -18.6 35.37 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.514 0.561 . . . . 50.0 112.514 -178.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -80.86 -13.25 59.1 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.352 -0.385 . . . . 50.0 111.64 171.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -76.96 -38.87 52.42 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.303 0.483 . . . . 75.0 112.303 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -90.16 -20.58 22.92 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.147 0.28 . . . . 50.0 111.695 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.435 HG13 ' HH ' ' A' ' 640' ' ' TYR . 52.8 t -85.24 128.51 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 N-CA-C 109.893 -0.41 . . . . 50.0 109.893 175.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 73.2 p -111.12 -176.67 3.01 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.649 -0.705 . . . . 25.0 111.845 -176.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -78.69 -17.76 55.41 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.337 -0.847 . . . . 75.0 110.029 170.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -83.02 -25.29 32.31 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.846 -0.616 . . . . 50.0 111.138 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.852 HD22 ' HH ' ' A' ' 650' ' ' TYR . 3.2 tp -66.61 -50.35 63.29 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 122.885 0.116 . . . . 75.0 111.281 172.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -58.09 -22.39 50.29 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.672 0.619 . . . . 75.0 112.672 -174.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.9 p -83.82 -31.91 25.58 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 123.408 0.443 . . . . 75.0 111.247 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -80.5 -22.99 40.43 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.008 0.523 . . . . 50.0 110.572 176.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 6.6 mt -74.9 -32.59 61.87 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.113 -0.949 . . . . 50.0 110.126 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 11.6 t -83.49 -31.15 8.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 114.951 -1.022 . . . . 50.0 110.918 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 38.0 m170 -76.64 -16.91 59.43 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 120.896 0.379 . . . . 75.0 110.661 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -85.29 -26.42 26.62 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 122.077 0.941 . . . . 75.0 108.817 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.405 HD22 ' CD1' ' A' ' 653' ' ' LEU . 23.0 tp -87.58 -40.35 14.32 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 113.071 -1.877 . . . . 75.0 111.775 -176.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.07 -21.52 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 123.329 0.651 . . . . 50.0 111.365 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -83.14 -27.3 30.22 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.591 0.234 . . . . 75.0 111.289 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.9 -23.04 48.84 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.882 -0.599 . . . . 25.0 111.466 174.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.557 HG12 HG21 ' A' ' 660' ' ' ILE . 95.3 mt -87.4 -59.07 2.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 N-CA-C 109.408 -0.59 . . . . 75.0 109.408 177.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -143.97 106.47 4.91 Favored Pre-proline 0 CA--C 1.547 0.855 0 N-CA-C 110.089 -0.337 . . . . 50.0 110.089 171.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -80.68 145.43 16.21 Favored 'Trans proline' 0 C--N 1.372 1.816 0 C-N-CA 121.999 1.799 . . . . 50.0 112.523 174.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 87.7 m -143.75 124.86 8.03 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 116.26 -0.427 . . . . 25.0 112.073 -177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -49.08 -52.17 9.24 Favored 'Trans proline' 0 C--N 1.372 1.78 0 C-N-CA 124.076 3.184 . . . . 75.0 114.108 171.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -86.07 116.36 65.46 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 115.423 -0.808 . . . . 50.0 111.727 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -63.28 -10.13 20.1 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.926 2.417 . . . . 50.0 114.057 174.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.29 -10.45 59.47 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -82.68 -16.88 46.51 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 122.548 0.339 . . . . 25.0 111.748 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.466 HD23 ' SD ' ' A' ' 625' ' ' MET . 97.6 mt -84.04 1.04 45.76 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.147 -0.479 . . . . 50.0 112.115 -177.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -104.57 14.63 29.58 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.933 0.397 . . . . 75.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -88.6 157.77 18.48 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.78 -0.646 . . . . 75.0 110.818 -177.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 16.7 mmp_? -78.65 -37.45 41.95 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.421 -0.809 . . . . 75.0 110.827 -176.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -72.42 -23.16 61.05 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 114.66 -1.155 . . . . 50.0 111.936 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.466 ' SD ' HD23 ' A' ' 620' ' ' LEU . 0.0 OUTLIER -88.97 -35.2 16.56 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 122.832 0.453 . . . . 75.0 110.844 178.318 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -54.68 -20.41 8.18 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.543 0.737 . . . . 75.0 112.699 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -66.34 -41.09 90.09 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 122.842 0.457 . . . . 50.0 111.828 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.501 HD21 ' CD2' ' A' ' 631' ' ' TYR . 91.5 mt -86.52 -27.86 23.75 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.985 0.178 . . . . 50.0 111.048 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.09 -34.51 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 109.706 -0.479 . . . . 50.0 109.706 170.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -77.35 -18.67 57.2 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.802 -1.09 . . . . 25.0 111.395 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . 0.501 ' CD2' HD21 ' A' ' 628' ' ' LEU . 5.6 m-30 -79.57 -34.65 40.69 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.679 -0.692 . . . . 75.0 110.693 172.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.6 -35.57 22.65 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.156 -0.475 . . . . 25.0 112.24 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -66.4 -26.05 67.06 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.929 0.492 . . . . 75.0 112.273 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -85.25 -30.01 24.17 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.785 0.661 . . . . 75.0 112.785 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.433 ' O ' ' HG3' ' A' ' 639' ' ' MET . 77.6 t -73.99 -36.73 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 111.583 0.216 . . . . 50.0 111.583 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.485 ' HA ' ' HE1' ' A' ' 639' ' ' MET . 2.5 pp20? -64.81 -30.55 71.56 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.074 0.549 . . . . 50.0 111.368 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -82.94 -21.18 59.74 Favored Glycine 0 C--N 1.346 1.132 0 O-C-N 123.486 0.491 . . . . 50.0 113.357 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -83.93 -18.63 36.69 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 122.779 0.432 . . . . 50.0 110.584 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.727 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 9.1 mtm -70.23 -25.23 63.29 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.802 0.667 . . . . 75.0 112.802 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.472 ' HH ' ' HH ' ' A' ' 649' ' ' TYR . 73.4 m-85 -74.99 -33.48 61.86 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 111.65 0.241 . . . . 50.0 111.65 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -88.34 -19.62 26.44 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.166 -0.47 . . . . 75.0 111.956 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 95.3 p -96.15 -33.91 11.87 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.235 0.334 . . . . 75.0 111.771 -177.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -95.95 141.55 29.24 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.195 0.309 . . . . 25.0 111.631 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -112.31 -8.18 13.95 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.802 -0.635 . . . . 75.0 111.981 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 94.4 p -132.7 171.59 13.66 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.311 -0.404 . . . . 50.0 110.953 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.489 ' HD2' ' CZ3' ' A' ' 591' ' ' TRP . 79.1 ttt-85 -76.87 -33.69 57.84 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.428 0.529 . . . . 50.0 112.428 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -81.06 -20.08 42.38 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 123.167 0.292 . . . . 75.0 111.587 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -85.86 -37.38 19.23 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.864 -0.421 . . . . 75.0 109.864 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . 0.472 ' HH ' ' HH ' ' A' ' 640' ' ' TYR . 67.3 t80 -58.46 -55.82 30.11 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.273 0.629 . . . . 75.0 111.385 177.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.852 ' HH ' HD22 ' A' ' 599' ' ' LEU . 62.5 m-85 -72.82 -17.84 61.52 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.557 0.947 . . . . 75.0 113.557 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -84.66 -40.25 17.63 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 111.782 0.29 . . . . 75.0 111.782 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 36.0 mt -54.08 -42.97 69.93 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.403 0.681 . . . . 50.0 112.61 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.727 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -68.39 -33.5 74.36 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.882 -0.599 . . . . 75.0 111.697 174.399 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.435 ' O ' ' CD1' ' A' ' 658' ' ' TYR . . . -72.67 -25.81 61.4 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.194 -0.457 . . . . 25.0 111.325 175.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -67.58 -45.44 75.54 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.856 -0.611 . . . . 75.0 112.195 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -68.14 -24.81 65.04 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.928 -0.397 . . . . 75.0 109.928 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 1.7 mt -72.9 -29.38 29.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 CA-C-N 115.53 -0.759 . . . . 50.0 110.011 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . 0.435 ' CD1' ' O ' ' A' ' 654' ' ' ALA . 35.0 m-85 -84.71 -32.65 23.41 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.079 -0.51 . . . . 75.0 110.999 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -78.87 -31.38 45.52 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 123.534 0.521 . . . . 75.0 112.388 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.557 HG21 HG12 ' A' ' 611' ' ' ILE . 96.7 mt -76.97 -28.55 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.719 -0.475 . . . . 50.0 109.719 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -70.12 -19.66 63.22 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.345 -0.843 . . . . 50.0 112.078 172.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -77.62 -40.79 40.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.758 0.423 . . . . 75.0 111.777 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -73.59 -41.71 62.51 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.009 0.524 . . . . 75.0 111.66 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.5 -18.51 62.28 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.334 -0.848 . . . . 75.0 112.255 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.38 -20.38 66.36 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.011 0.524 . . . . 75.0 111.484 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -73.86 -21.59 60.05 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.822 0.449 . . . . 75.0 111.193 174.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -86.03 -18.21 33.12 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.903 -0.59 . . . . 75.0 110.979 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -82.8 -16.96 45.79 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.971 -0.559 . . . . 75.0 111.37 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -91.51 -41.61 10.72 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.285 -0.416 . . . . 75.0 111.16 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 96.9 p -80.6 -23.17 40.0 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.823 0.675 . . . . 75.0 112.823 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -93.38 -10.01 36.71 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.744 0.307 . . . . 75.0 111.499 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.094 -0.955 . . . . 50.0 110.746 178.739 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.452 -0.259 . . . . 25.0 112.452 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 28.1 t -115.6 128.79 25.67 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-O 119.556 -0.259 . . . . 50.0 111.017 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -73.55 138.34 26.71 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.397 2.064 . . . . 75.0 113.329 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 114.75 136.09 6.07 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 115.899 -0.592 . . . . 50.0 112.635 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -112.11 99.94 47.68 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 110.25 -0.278 . . . . 50.0 110.25 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -65.86 141.81 66.67 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 122.696 2.264 . . . . 75.0 113.124 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -127.93 136.52 51.45 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.888 -0.596 . . . . 50.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 129.23 33.05 0.55 Allowed Glycine 0 C--N 1.336 0.563 0 CA-C-N 115.796 -0.638 . . . . 50.0 113.069 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 95.0 mt -124.38 20.72 8.78 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.746 0.308 . . . . 50.0 111.149 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.14 -1.14 7.04 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.031 0.443 . . . . 50.0 111.253 -175.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 48.1 t -151.24 88.36 1.44 Allowed 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.67 -0.695 . . . . 50.0 109.814 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -163.4 -42.52 0.02 OUTLIER Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.619 -0.718 . . . . 75.0 112.88 -178.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -117.48 1.95 12.37 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.058 0.456 . . . . 50.0 110.891 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -95.82 -4.43 43.81 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.26 -0.882 . . . . 75.0 112.389 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -84.97 -35.64 21.89 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.31 -0.859 . . . . 75.0 111.306 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 22.6 m-30 -89.07 -11.81 43.03 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 122.512 0.325 . . . . 50.0 110.834 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 84.6 p -66.62 -21.76 66.12 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 122.965 0.506 . . . . 50.0 112.059 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 87.6 p -89.1 -23.67 22.45 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.118 -0.492 . . . . 75.0 111.366 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 66.9 mt -86.81 -30.84 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 116.339 -0.391 . . . . 50.0 111.102 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.98 -11.65 58.75 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.831 0.678 . . . . 50.0 112.831 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -98.73 -14.07 19.93 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.414 -0.812 . . . . 75.0 109.824 175.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 96.1 mtp -92.11 -27.8 17.51 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.264 -0.88 . . . . 50.0 110.888 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -92.57 -19.56 21.81 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.518 -0.764 . . . . 50.0 111.752 -177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -73.64 -25.52 60.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.457 0.17 . . . . 75.0 111.21 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.8 p -81.81 -25.49 35.17 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.115 -0.493 . . . . 50.0 111.624 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.2 -22.81 30.78 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.275 -0.42 . . . . 25.0 112.009 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 58.9 mt -83.37 -16.55 45.57 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.553 0.575 . . . . 50.0 112.553 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 93.5 mt -77.68 -43.33 31.57 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.915 0.388 . . . . 50.0 110.817 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.6 p -76.81 -16.21 59.51 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.251 -0.886 . . . . 75.0 111.944 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -74.64 -27.52 60.48 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.122 0.569 . . . . 50.0 112.188 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 40.8 pt -104.89 -19.47 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 115.764 -0.653 . . . . 75.0 112.27 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 81.0 p -94.74 -38.1 10.95 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.364 0.415 . . . . 50.0 111.369 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 117.954 -1.022 . . . . 50.0 110.866 179.767 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.517 -0.233 . . . . 25.0 112.517 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 34.1 m -90.43 155.86 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 N-CA-C 109.794 -0.447 . . . . 75.0 109.794 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -91.53 123.38 34.9 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.196 -0.457 . . . . 75.0 111.424 -174.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -130.36 -172.03 2.69 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.291 -0.868 . . . . 75.0 110.797 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -63.95 -38.33 95.91 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 114.332 0.493 . . . . 50.0 114.332 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . 0.498 ' HD1' ' H ' ' A' ' 592' ' ' HIS . 0.3 OUTLIER -68.31 -34.85 76.87 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.666 0.617 . . . . 50.0 112.666 -177.492 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.498 ' H ' ' HD1' ' A' ' 591' ' ' TRP . 61.4 t-80 -71.05 -12.92 61.78 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 122.595 0.358 . . . . 50.0 111.623 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -83.0 -25.67 32.0 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.144 0.424 . . . . 50.0 112.144 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -112.22 -23.65 10.28 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.882 0.697 . . . . 50.0 112.882 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.428 HG23 HD23 ' A' ' 599' ' ' LEU . 77.5 t -79.82 125.83 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 120.851 0.358 . . . . 50.0 110.156 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 66.8 p -112.45 -176.48 2.92 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.325 -0.852 . . . . 25.0 111.238 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -71.4 -18.69 62.33 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.55 -0.75 . . . . 75.0 110.025 166.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -83.3 -39.06 21.29 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 116.148 -0.478 . . . . 75.0 112.171 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.428 HD23 HG23 ' A' ' 595' ' ' VAL . 60.3 tp -62.75 -47.13 84.9 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 111.843 0.312 . . . . 75.0 111.843 177.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -57.61 -29.46 64.54 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.748 0.419 . . . . 75.0 111.66 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 69.6 p -80.55 -25.92 38.32 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.346 -0.843 . . . . 75.0 111.138 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -84.67 -20.31 31.47 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.01 -0.541 . . . . 50.0 110.894 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.414 HD12 ' HH ' ' A' ' 649' ' ' TYR . 35.7 mt -78.63 -37.13 42.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.56 0.744 . . . . 75.0 109.674 175.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 53.5 t -71.52 -35.61 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 114.728 -1.124 . . . . 50.0 110.65 171.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -74.92 -17.22 60.6 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.857 0.361 . . . . 50.0 110.388 175.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -83.22 -22.7 33.06 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.438 -0.801 . . . . 75.0 109.178 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 3.2 tp -86.53 -43.59 12.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.13 -1.396 . . . . 75.0 111.5 -177.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 63.7 t -71.02 -24.3 24.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.344 0.657 . . . . 50.0 111.414 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -84.9 -26.89 27.0 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.575 0.226 . . . . 75.0 111.285 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -75.66 -28.77 58.86 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.889 -0.596 . . . . 25.0 111.286 174.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 51.9 mt -91.25 -41.29 13.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 116.088 -0.506 . . . . 75.0 109.764 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -134.59 100.69 12.26 Favored Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 122.79 0.436 . . . . 50.0 110.205 174.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.3 133.68 13.5 Favored 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.418 2.079 . . . . 50.0 112.492 174.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.23 126.87 5.65 Favored Pre-proline 0 CA--C 1.543 0.704 0 CA-C-N 116.357 -0.383 . . . . 25.0 111.924 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -52.85 -52.45 8.81 Favored 'Trans proline' 0 C--N 1.371 1.73 0 C-N-CA 123.814 3.01 . . . . 75.0 114.067 172.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -86.83 121.69 71.73 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 115.561 -0.745 . . . . 50.0 112.163 -176.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -63.46 -10.23 20.92 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 123.037 2.491 . . . . 50.0 114.085 173.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.13 -8.19 57.07 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.852 0.686 . . . . 25.0 112.852 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.62 -7.94 59.65 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.208 0.447 . . . . 25.0 112.208 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 98.4 mt -82.98 4.03 27.63 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.925 -0.58 . . . . 75.0 112.527 -174.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -98.8 15.25 26.04 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.055 0.455 . . . . 75.0 111.337 -176.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -81.73 154.42 26.03 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.63 -0.713 . . . . 75.0 111.047 -177.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -83.44 -37.17 23.55 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.526 -0.761 . . . . 75.0 110.865 -175.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 -66.8 -22.09 66.03 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.077 -0.965 . . . . 50.0 111.953 176.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.468 ' HG3' HG21 ' A' ' 629' ' ' VAL . 26.2 tpp -79.19 -40.68 30.2 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.23 0.612 . . . . 75.0 111.399 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -54.8 -21.13 10.2 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 112.613 0.597 . . . . 75.0 112.613 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -79.99 -28.51 39.47 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.51 0.324 . . . . 50.0 111.467 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 65.1 tp -86.04 -42.27 14.1 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.004 0.522 . . . . 75.0 110.203 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.489 HG11 ' HD2' ' A' ' 633' ' ' LYS . 54.5 t -57.43 -29.44 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.193 0.597 . . . . 50.0 110.784 174.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -78.0 -18.71 55.59 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.874 -0.603 . . . . 25.0 111.53 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . 0.449 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 15.5 t80 -76.54 -40.77 48.88 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.955 -0.566 . . . . 75.0 110.531 171.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.2 -21.73 31.16 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 123.208 0.318 . . . . 25.0 111.788 -176.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.489 ' HD2' HG11 ' A' ' 629' ' ' VAL . 46.3 mttt -70.88 -24.42 62.49 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.913 0.387 . . . . 75.0 111.618 175.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -85.31 -33.73 22.03 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.344 -0.843 . . . . 75.0 111.817 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.591 ' O ' ' HG3' ' A' ' 639' ' ' MET . 96.1 t -75.86 -31.96 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 112.423 0.527 . . . . 50.0 112.423 -173.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -70.13 -28.91 65.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.499 0.32 . . . . 50.0 111.464 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -82.06 -22.05 59.96 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 116.315 -0.402 . . . . 50.0 113.281 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -84.92 -18.86 33.36 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.726 0.411 . . . . 50.0 110.496 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.796 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 2.9 mtm -69.76 -32.86 71.62 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.427 0.691 . . . . 75.0 112.694 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -78.47 -25.18 45.74 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.092 0.245 . . . . 50.0 111.319 -176.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -88.35 -22.69 23.68 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.25 -0.432 . . . . 75.0 111.502 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 p -96.15 -30.05 13.73 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.252 -0.431 . . . . 75.0 111.973 -177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . 0.403 ' O ' ' CH2' ' A' ' 591' ' ' TRP . . . -99.98 151.81 20.91 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.866 0.321 . . . . 25.0 111.866 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -121.0 -13.5 8.58 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.726 -0.67 . . . . 50.0 110.974 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 94.3 p -131.57 173.0 11.56 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.534 -0.303 . . . . 50.0 111.115 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.516 ' HG3' ' CE1' ' A' ' 650' ' ' TYR . 16.6 ttt-85 -75.23 -32.47 61.15 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.804 0.441 . . . . 50.0 111.673 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -80.38 -21.84 41.91 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 111.97 0.359 . . . . 50.0 111.97 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -86.6 -42.73 13.22 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 110.128 -0.323 . . . . 75.0 110.128 175.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . 0.414 ' HH ' HD12 ' A' ' 603' ' ' LEU . 89.0 t80 -57.3 -51.42 69.44 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.252 0.621 . . . . 75.0 111.726 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.516 ' CE1' ' HG3' ' A' ' 646' ' ' ARG . 35.8 m-85 -75.74 -17.32 59.95 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.649 0.981 . . . . 75.0 113.649 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -84.85 -36.61 21.46 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 111.728 0.27 . . . . 75.0 111.728 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 43.8 mt -57.7 -39.12 76.47 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.603 0.761 . . . . 50.0 112.393 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.796 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -73.67 -34.83 65.08 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.635 -0.711 . . . . 75.0 112.277 174.275 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -75.3 -27.68 59.42 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -74.91 -30.84 61.39 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.352 0.501 . . . . 75.0 112.352 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -71.09 -29.52 65.4 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.331 -0.618 . . . . 75.0 109.331 171.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 1.8 mt -69.56 -30.55 45.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.168 -0.924 . . . . 50.0 110.662 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -85.19 -34.28 22.1 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.231 -0.441 . . . . 75.0 111.275 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -75.11 -33.95 61.65 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 112.207 0.447 . . . . 75.0 112.207 -177.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 80.9 mt -72.14 -32.75 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 109.617 -0.512 . . . . 50.0 109.617 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -71.34 -20.07 62.22 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.549 -0.751 . . . . 50.0 112.379 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -74.37 -38.47 63.17 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.16 0.429 . . . . 75.0 112.16 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -74.06 -44.1 55.43 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.189 0.596 . . . . 75.0 111.403 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.23 -19.2 61.75 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.849 -0.614 . . . . 50.0 112.16 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 669' ' ' ARG . 0.8 OUTLIER -71.89 -21.52 61.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 122.769 0.427 . . . . 75.0 110.992 177.8 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -75.29 -23.81 57.43 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.276 -0.42 . . . . 50.0 111.016 175.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -86.42 -20.01 28.82 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.985 -0.552 . . . . 75.0 110.882 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -87.05 -19.93 27.9 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.991 -0.55 . . . . 75.0 111.286 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 665' ' ' GLU . 99.9 mtt180 -89.82 -8.93 50.93 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.427 0.291 . . . . 75.0 111.727 178.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 78.3 p -93.67 -30.63 14.82 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.399 -0.364 . . . . 50.0 111.788 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -87.52 -67.22 0.84 Allowed 'General case' 0 C--N 1.342 0.254 0 CA-C-O 121.065 0.46 . . . . 75.0 111.749 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 68.8 mt . . . . . 0 C--O 1.249 1.075 0 CA-C-O 117.931 -1.033 . . . . 75.0 111.641 -179.685 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.495 -0.242 . . . . 25.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 72.3 m -108.22 128.86 24.9 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-O 119.524 -0.274 . . . . 50.0 110.661 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -72.03 138.79 31.66 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.435 2.09 . . . . 75.0 113.419 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 141.91 149.68 5.23 Favored Glycine 0 C--N 1.336 0.583 0 CA-C-N 115.808 -0.633 . . . . 50.0 112.574 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -102.39 142.28 24.25 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-O 119.002 -0.523 . . . . 50.0 110.903 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -57.01 -65.05 0.11 Allowed 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.483 2.122 . . . . 75.0 113.957 -173.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 49.8 t30 59.07 123.89 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.181 0.993 . . . . 50.0 112.515 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 153.06 75.01 0.01 OUTLIER Glycine 0 C--N 1.338 0.648 0 CA-C-N 115.756 -0.656 . . . . 50.0 112.706 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 95.8 mt -124.61 17.3 8.82 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 120.842 0.353 . . . . 50.0 111.031 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 91.2 mt -76.95 18.28 0.37 Allowed 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 115.95 -0.568 . . . . 50.0 111.77 -172.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 82.5 p -136.51 -46.94 0.62 Allowed 'General case' 0 C--N 1.345 0.373 0 CA-C-N 116.448 -0.342 . . . . 50.0 111.578 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 98.3 21.68 16.81 Favored Glycine 0 C--N 1.344 0.981 0 O-C-N 123.423 0.452 . . . . 50.0 113.605 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -127.5 1.38 6.24 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.937 0.398 . . . . 75.0 111.143 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -94.53 -4.08 48.66 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.624 -0.716 . . . . 75.0 112.272 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -83.57 -9.24 59.06 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.047 -0.979 . . . . 75.0 111.658 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . 0.533 ' CD2' ' HB2' ' B' ' 538' ' ' ALA . 0.2 OUTLIER -82.88 -11.71 57.98 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.238 0.459 . . . . 50.0 112.238 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 97.0 p -73.27 -26.17 60.99 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.279 -0.418 . . . . 75.0 111.285 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 81.0 p -90.05 -38.89 13.27 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.878 -0.601 . . . . 75.0 112.014 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.6 mt -86.04 -40.02 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 112.025 0.38 . . . . 50.0 112.025 -174.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . 0.533 ' HB2' ' CD2' ' B' ' 534' ' ' PHE . . . -79.2 -15.79 57.52 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.559 0.577 . . . . 50.0 112.559 -176.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -92.09 -25.68 18.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.447 -0.797 . . . . 75.0 109.633 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 92.9 mtp -75.75 -21.48 57.42 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.81 -0.632 . . . . 50.0 110.549 169.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -79.99 -54.87 5.39 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.175 -0.92 . . . . 50.0 111.405 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.11 -18.79 60.76 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 112.777 0.658 . . . . 75.0 112.777 -173.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.9 p -78.85 -23.18 45.14 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.383 0.427 . . . . 50.0 111.313 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -81.97 -31.91 30.95 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.293 -0.412 . . . . 25.0 111.18 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.408 HD13 ' HE1' ' A' ' 625' ' ' MET . 4.4 mt -84.05 -14.18 51.2 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.823 -0.626 . . . . 50.0 111.333 173.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 47.6 tp -74.92 -38.54 61.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.751 -0.659 . . . . 75.0 111.245 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.5 p -76.05 -16.46 59.93 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.696 -0.683 . . . . 75.0 112.004 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -78.85 -11.23 59.99 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.606 0.595 . . . . 75.0 112.606 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 66.1 mt -98.07 -32.63 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 116.008 -0.542 . . . . 50.0 110.523 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 78.4 p -95.48 -40.39 9.5 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.247 0.342 . . . . 50.0 111.549 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.765 -0.636 . . . . 50.0 110.595 -179.801 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.489 -0.245 . . . . 25.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 73.5 t -90.33 137.86 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 109.861 -0.422 . . . . 75.0 109.861 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -92.12 122.79 34.95 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.056 -0.52 . . . . 75.0 111.161 -175.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.68 ' HD2' ' HE1' ' A' ' 591' ' ' TRP . 84.5 mttt -139.52 156.95 46.6 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.447 -0.797 . . . . 75.0 111.048 -176.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -79.74 -18.61 72.57 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 115.436 -0.802 . . . . 50.0 114.165 -176.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . 0.68 ' HE1' ' HD2' ' A' ' 589' ' ' LYS . 12.4 p-90 -84.21 -33.28 24.17 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.988 0.394 . . . . 50.0 111.48 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.415 ' HD1' ' HH ' ' A' ' 640' ' ' TYR . 2.6 t60 -63.97 -41.3 97.58 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.503 0.721 . . . . 50.0 111.984 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -84.61 -10.54 57.27 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 123.182 0.301 . . . . 50.0 111.703 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -95.06 -26.18 16.16 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.699 -0.682 . . . . 75.0 111.445 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.526 HG13 HD22 ' A' ' 599' ' ' LEU . 25.4 t -82.47 131.86 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 120.858 0.361 . . . . 50.0 110.367 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 81.8 p -104.4 176.57 5.11 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.404 -0.817 . . . . 25.0 111.568 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -78.14 -17.69 56.56 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.519 -0.764 . . . . 75.0 110.014 170.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -81.64 -24.09 36.56 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.703 -0.681 . . . . 50.0 110.915 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.526 HD22 HG13 ' A' ' 595' ' ' VAL . 15.5 tp -67.38 -49.79 62.42 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.05 0.218 . . . . 75.0 111.272 173.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -59.83 -22.15 61.86 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 112.568 0.581 . . . . 75.0 112.568 -175.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 95.2 p -84.12 -28.52 27.43 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.162 -0.472 . . . . 75.0 111.155 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -84.35 -20.52 31.85 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.068 -0.515 . . . . 50.0 110.834 178.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 42.6 mt -76.56 -35.78 58.01 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.446 0.699 . . . . 75.0 109.867 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 53.5 t -71.94 -39.2 66.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 114.783 -1.098 . . . . 50.0 110.698 172.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -71.96 -17.53 62.06 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.355 0.409 . . . . 50.0 110.621 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -85.27 -22.48 28.58 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.518 -0.764 . . . . 75.0 109.226 175.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 13.1 mt -86.88 -40.66 14.66 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 114.278 -1.328 . . . . 75.0 111.626 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.2 t -71.71 -25.59 24.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.361 0.665 . . . . 50.0 111.512 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -81.12 -26.71 35.94 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 120.615 0.245 . . . . 75.0 111.65 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -78.31 -35.54 47.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.857 -0.611 . . . . 25.0 111.596 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.403 HG12 HG23 ' A' ' 660' ' ' ILE . 91.7 mt -77.76 -49.57 21.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 109.827 -0.434 . . . . 75.0 109.827 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.495 ' CZ ' ' HB3' ' B' ' 545' ' ' LEU . 57.4 t80 -140.36 103.3 6.6 Favored Pre-proline 0 CA--C 1.551 0.989 0 O-C-N 123.233 0.333 . . . . 50.0 110.287 172.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -75.94 136.02 18.07 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.434 2.089 . . . . 50.0 112.505 174.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.8 t -148.94 126.14 5.53 Favored Pre-proline 0 CA--C 1.544 0.748 0 N-CA-C 112.119 0.414 . . . . 25.0 112.119 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -49.9 -53.87 6.37 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 124.109 3.206 . . . . 75.0 114.379 172.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -80.38 117.31 67.11 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.492 -0.776 . . . . 50.0 112.33 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -65.47 -10.32 25.77 Favored 'Trans proline' 0 C--N 1.376 1.981 0 C-N-CA 122.786 2.324 . . . . 50.0 113.946 172.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -74.78 -8.2 55.72 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.732 0.642 . . . . 25.0 112.732 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.42 -12.11 59.04 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 90.8 mt -85.15 2.85 41.79 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.393 0.516 . . . . 50.0 112.393 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -103.33 14.36 31.7 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.07 0.462 . . . . 75.0 110.655 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -87.76 153.63 21.2 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.839 -0.619 . . . . 75.0 110.755 -177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.3 mmp_? -79.2 -37.08 39.1 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 115.429 -0.805 . . . . 75.0 110.882 -175.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -73.04 -21.46 60.8 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.784 -1.098 . . . . 50.0 112.378 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -86.67 -37.11 18.3 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.506 0.322 . . . . 75.0 111.211 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -53.73 -19.86 4.74 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.629 0.974 . . . . 50.0 113.629 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -68.82 -39.69 79.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.768 0.427 . . . . 50.0 111.723 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 79.0 mt -86.44 -31.06 21.6 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.513 0.197 . . . . 50.0 110.696 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 67.9 t -54.52 -34.92 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 123.21 0.604 . . . . 50.0 110.032 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -80.23 -18.48 49.34 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.756 -1.111 . . . . 25.0 111.545 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -73.88 -40.18 63.39 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.075 0.55 . . . . 75.0 110.741 172.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.68 -28.04 26.66 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.44 -0.345 . . . . 25.0 111.903 -177.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -61.54 -32.0 72.05 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.313 0.645 . . . . 75.0 112.252 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -87.07 -27.56 23.08 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.092 1.145 . . . . 75.0 114.092 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.71 -54.85 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 112.916 0.71 . . . . 50.0 112.916 -170.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -58.62 -20.62 49.04 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 113.453 0.909 . . . . 75.0 113.453 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.36 -23.41 78.1 Favored Glycine 0 C--N 1.345 1.035 0 C-N-CA 121.701 -0.285 . . . . 50.0 112.828 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -87.28 -19.44 28.26 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.876 0.47 . . . . 75.0 111.312 175.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.452 ' SD ' ' HB3' ' A' ' 653' ' ' LEU . 4.9 mtm -72.41 -20.77 61.37 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.898 0.479 . . . . 75.0 112.033 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.415 ' HH ' ' HD1' ' A' ' 592' ' ' HIS . 35.0 t80 -75.3 -34.45 61.29 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.959 -0.564 . . . . 50.0 111.371 -177.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -88.82 -25.26 22.3 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.182 -0.463 . . . . 75.0 112.115 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 m -86.63 -45.93 10.56 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.905 0.335 . . . . 75.0 111.905 -175.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -84.74 147.28 26.96 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.276 0.36 . . . . 25.0 111.896 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -107.82 -13.12 15.07 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.723 -0.671 . . . . 50.0 111.201 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.3 p -131.72 159.25 38.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.494 -0.321 . . . . 75.0 110.672 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -75.56 -25.18 56.88 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.894 -0.593 . . . . 75.0 111.839 -175.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -81.31 -23.28 37.96 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.29 0.368 . . . . 50.0 111.326 175.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -86.17 -44.03 12.54 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.201 -0.454 . . . . 75.0 109.993 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -53.9 -50.7 65.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.712 0.805 . . . . 75.0 111.487 178.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.554 ' HA ' HD22 ' A' ' 653' ' ' LEU . 20.3 m-30 -66.17 -16.42 63.96 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.194 0.813 . . . . 75.0 113.194 174.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -84.82 -29.34 25.44 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.398 0.518 . . . . 50.0 112.398 -175.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.45 -28.51 67.94 Favored 'General case' 0 C--N 1.349 0.566 0 N-CA-C 112.008 0.373 . . . . 75.0 112.008 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.554 HD22 ' HA ' ' A' ' 650' ' ' TYR . 0.2 OUTLIER -87.71 -29.9 20.75 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.21 0.319 . . . . 75.0 111.746 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.452 ' N ' ' HG ' ' A' ' 653' ' ' LEU . . . -76.2 -24.91 54.7 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.252 0.345 . . . . 25.0 111.699 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -79.02 -31.72 44.79 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.088 0.403 . . . . 75.0 112.088 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -68.78 -29.72 68.15 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 109.07 -0.715 . . . . 75.0 109.07 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 4.3 mt -69.86 -39.0 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-N 115.405 -0.816 . . . . 50.0 111.186 -176.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -82.99 -29.0 29.31 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.915 0.388 . . . . 75.0 110.356 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -76.36 -34.17 58.94 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.216 -0.902 . . . . 50.0 112.41 -177.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.403 HG23 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -75.07 -30.21 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 N-CA-C 109.905 -0.406 . . . . 50.0 109.905 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -63.08 -19.73 64.69 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.334 -0.848 . . . . 50.0 112.656 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -77.89 -43.11 31.09 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.806 0.442 . . . . 75.0 111.459 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -63.56 -42.64 98.33 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.899 0.88 . . . . 75.0 112.051 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.45 -18.75 65.54 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.996 -0.547 . . . . 50.0 112.435 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -86.35 -17.65 33.95 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 122.247 0.219 . . . . 50.0 111.425 175.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -74.43 -24.17 59.04 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.74 0.416 . . . . 50.0 111.42 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.536 ' HE2' ' OD2' ' B' ' 539' ' ' ASP . 40.0 mmtm -84.99 -17.39 37.75 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 116.096 -0.502 . . . . 75.0 111.317 175.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -80.58 -24.51 39.13 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.916 -0.584 . . . . 50.0 111.48 -178.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -91.74 -46.44 7.89 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 123.261 0.351 . . . . 75.0 111.568 -177.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 85.7 p -100.26 -37.61 8.83 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.255 0.465 . . . . 75.0 112.255 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 69.46 -5.22 1.18 Allowed 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.457 1.103 . . . . 75.0 112.805 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 C--O 1.25 1.084 0 CA-C-O 117.958 -1.02 . . . . 75.0 110.622 178.266 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.545 -0.222 . . . . 25.0 112.545 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 18.1 t -104.42 131.06 22.24 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-O 119.521 -0.276 . . . . 50.0 111.064 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.98 135.38 25.26 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.421 2.08 . . . . 75.0 113.408 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -116.98 47.34 1.04 Allowed Glycine 0 C--N 1.337 0.633 0 CA-C-N 115.788 -0.642 . . . . 50.0 112.651 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 60.43 118.78 0.02 OUTLIER Pre-proline 0 N--CA 1.485 1.305 0 C-N-CA 124.164 0.985 . . . . 75.0 112.187 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.27 142.1 29.87 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.153 1.902 . . . . 75.0 113.158 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . 0.429 ' HA ' ' CD1' ' B' ' 528' ' ' LEU . 72.0 m-80 -118.23 140.23 50.11 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.998 -0.546 . . . . 50.0 111.48 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 123.99 -47.99 0.98 Allowed Glycine 0 C--N 1.339 0.719 0 CA-C-N 115.977 -0.556 . . . . 50.0 113.059 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 57.8 mt -116.19 37.15 3.78 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.121 0.486 . . . . 50.0 111.636 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' B' ' 525' ' ' ASN . 2.2 mt -80.46 2.24 25.99 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.046 -0.524 . . . . 50.0 111.77 -176.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 81.2 p -128.73 17.77 6.28 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.286 -0.415 . . . . 50.0 111.539 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -103.75 -77.7 1.2 Allowed Glycine 0 C--N 1.341 0.828 0 CA-C-N 116.227 -0.442 . . . . 75.0 112.921 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -135.96 34.09 2.87 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.531 0.681 . . . . 75.0 110.16 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . 0.431 ' HA ' ' OG ' ' B' ' 535' ' ' SER . 70.8 mm-40 -97.85 -3.22 39.16 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.188 -0.914 . . . . 75.0 113.037 -174.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -75.96 -42.37 48.68 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.553 -0.749 . . . . 75.0 111.468 -176.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' B' ' 538' ' ' ALA . 0.3 OUTLIER -88.94 -12.87 40.38 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 123.226 0.329 . . . . 50.0 111.476 178.287 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 535' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' B' ' 539' ' ' ASP . 84.7 p -79.75 -15.94 56.55 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.04 -0.527 . . . . 50.0 111.145 177.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 55.3 m -90.74 -49.71 6.31 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.997 -0.547 . . . . 75.0 111.444 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.4 mt -86.97 -49.52 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 123.219 0.325 . . . . 50.0 111.817 -174.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' B' ' 534' ' ' PHE . . . -74.75 -10.24 59.33 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.603 0.594 . . . . 75.0 112.603 -175.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . 0.536 ' OD2' ' HE2' ' A' ' 667' ' ' LYS . 97.9 m-20 -97.25 -14.17 21.55 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.288 -0.869 . . . . 75.0 110.14 174.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 80.6 mtp -89.07 -28.51 20.07 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.099 -0.501 . . . . 50.0 111.276 172.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -93.11 -22.32 19.16 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.808 -0.633 . . . . 50.0 112.628 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' B' ' 538' ' ' ALA . 44.8 t80 -72.4 -30.17 64.41 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 111.496 0.184 . . . . 75.0 111.496 -176.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 93.6 p -81.92 -28.84 32.6 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.22 -0.445 . . . . 75.0 111.021 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -79.04 -28.29 43.21 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.795 -0.639 . . . . 25.0 111.428 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 612' ' ' PHE . 76.6 mt -83.45 -20.13 34.61 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.242 0.617 . . . . 50.0 110.927 173.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' B' ' 546' ' ' LEU . 7.4 mt -76.6 -30.96 57.18 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.597 -0.729 . . . . 75.0 110.739 177.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.6 p -76.96 -16.3 59.39 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.718 -0.674 . . . . 75.0 112.065 175.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 90.7 mm-40 -76.18 -16.35 59.87 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.492 0.552 . . . . 75.0 112.492 -177.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 38.3 pt -104.69 -17.42 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-N 116.174 -0.467 . . . . 75.0 112.104 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 87.1 p -100.83 -29.87 12.01 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.428 -0.351 . . . . 50.0 111.406 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 117.993 -1.003 . . . . 50.0 112.032 -179.346 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.562 -0.215 . . . . 25.0 112.562 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 91.9 t -90.32 133.84 31.0 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-O 120.823 0.344 . . . . 75.0 111.189 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -92.27 129.96 38.08 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.623 -0.717 . . . . 50.0 111.222 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -119.14 124.78 47.68 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.958 -0.565 . . . . 75.0 111.332 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -82.29 -27.53 43.81 Favored Glycine 0 C--N 1.34 0.75 0 CA-C-N 115.499 -0.773 . . . . 50.0 112.986 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . 0.512 ' HZ3' ' CD1' ' A' ' 640' ' ' TYR . 68.8 p-90 -84.39 -33.84 23.69 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.258 0.623 . . . . 50.0 112.271 -177.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -68.32 -35.46 77.83 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.54 0.336 . . . . 50.0 111.62 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -86.1 -12.37 50.22 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.236 0.335 . . . . 50.0 111.462 177.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -97.49 -26.6 14.77 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.763 -0.653 . . . . 75.0 111.36 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.627 ' HA ' HD12 ' A' ' 599' ' ' LEU . 74.3 t -87.6 127.3 40.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 109.722 -0.473 . . . . 50.0 109.722 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.576 ' HG1' ' H ' ' A' ' 598' ' ' ASP . 42.9 p -108.1 -179.99 4.05 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.516 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -76.76 -18.59 58.37 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.881 -0.599 . . . . 75.0 110.215 170.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . 0.576 ' H ' ' HG1' ' A' ' 596' ' ' THR . 72.2 m-20 -85.13 -31.42 23.31 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.84 -0.618 . . . . 50.0 111.227 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 595' ' ' VAL . 31.8 mt -65.4 -47.22 77.07 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 111.677 0.251 . . . . 75.0 111.677 175.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -57.6 -32.48 67.24 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.803 0.441 . . . . 75.0 111.733 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.4 p -73.43 -27.8 61.63 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.6 -0.727 . . . . 75.0 111.386 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 598' ' ' ASP . 90.6 m-70 -86.36 -21.23 27.33 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.166 -0.47 . . . . 50.0 110.864 177.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.2 -36.84 54.57 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.119 0.568 . . . . 75.0 109.994 175.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 48.3 t -71.27 -37.24 65.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.281 1.032 . . . . 50.0 110.465 172.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -73.71 -17.75 61.08 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 123.302 0.376 . . . . 50.0 110.592 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -85.5 -22.32 28.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.504 -0.771 . . . . 75.0 109.244 175.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.408 HD23 HG13 ' A' ' 657' ' ' ILE . 9.4 mt -86.13 -39.26 16.9 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.235 -1.348 . . . . 75.0 111.378 -178.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.4 t -73.83 -26.4 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 122.975 0.51 . . . . 50.0 111.381 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -81.76 -26.75 34.22 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.533 0.206 . . . . 75.0 111.396 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -80.47 -32.47 37.12 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.863 -0.608 . . . . 25.0 111.679 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 98.8 mt -77.68 -53.36 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 109.848 -0.427 . . . . 75.0 109.848 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.44 ' CG ' HD13 ' B' ' 545' ' ' LEU . 58.6 t80 -138.19 106.08 7.95 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 110.14 -0.318 . . . . 50.0 110.14 173.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -66.46 136.29 42.53 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 122.422 2.081 . . . . 50.0 112.195 173.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 44.7 p -105.54 114.45 63.11 Favored Pre-proline 0 C--O 1.236 0.385 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 -175.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -60.73 -51.03 5.43 Favored 'Trans proline' 0 C--N 1.369 1.656 0 C-N-CA 123.349 2.7 . . . . 75.0 112.521 166.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -104.12 122.98 42.32 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 114.763 -1.108 . . . . 50.0 111.273 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -61.34 -10.11 14.9 Favored 'Trans proline' 0 C--N 1.377 2.065 0 C-N-CA 122.956 2.437 . . . . 50.0 114.108 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . 0.41 ' HB2' ' NZ ' ' A' ' 621' ' ' LYS . . . -76.51 -8.27 56.85 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 -178.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.52 -8.18 59.69 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 88.7 mt -82.17 -9.24 59.58 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.142 -0.481 . . . . 75.0 112.087 -176.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 618' ' ' ALA . 25.3 pttm -105.53 14.47 28.52 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 121.042 0.449 . . . . 50.0 110.226 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -85.9 163.84 17.82 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.894 -0.593 . . . . 75.0 111.046 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -78.76 -52.19 8.72 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.987 -0.551 . . . . 75.0 111.6 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -62.99 -27.96 69.77 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.484 0.55 . . . . 50.0 112.484 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 54.8 tpp -76.0 -38.56 57.22 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.765 0.426 . . . . 75.0 110.731 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.03 -20.36 65.86 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.356 0.663 . . . . 75.0 112.211 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -70.65 -42.02 71.36 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 122.764 0.426 . . . . 50.0 111.988 -176.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 95.7 mt -86.32 -21.85 27.06 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.945 0.153 . . . . 50.0 110.875 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.41 HG12 ' HD2' ' A' ' 633' ' ' LYS . 3.2 t -55.01 -32.88 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 109.39 -0.596 . . . . 50.0 109.39 166.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -79.94 -18.83 49.45 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.649 -1.16 . . . . 25.0 111.63 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . 0.495 ' O ' ' HB3' ' A' ' 634' ' ' LYS . 38.4 t80 -75.09 -42.23 57.15 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.173 -0.467 . . . . 75.0 110.43 170.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.47 -24.58 29.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.364 -0.38 . . . . 25.0 111.942 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.41 ' HD2' HG12 ' A' ' 629' ' ' VAL . 62.1 mttt -71.39 -19.04 62.32 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.436 0.636 . . . . 75.0 110.164 172.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 631' ' ' TYR . 15.4 ttpt -79.05 -47.63 15.85 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 114.405 -1.27 . . . . 75.0 111.952 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 29.7 m -72.99 -37.49 53.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 114.312 1.227 . . . . 50.0 114.312 -159.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -53.36 -31.76 46.12 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 112.758 0.651 . . . . 75.0 112.758 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -70.42 -19.73 76.37 Favored Glycine 0 C--N 1.347 1.155 0 O-C-N 123.379 0.424 . . . . 50.0 113.31 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -86.19 -19.39 30.12 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 122.807 0.443 . . . . 50.0 110.592 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.582 ' HG2' ' HB2' ' A' ' 652' ' ' LEU . 15.8 mtt -80.54 -22.09 41.15 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.16 -0.473 . . . . 75.0 111.992 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.512 ' CD1' ' HZ3' ' A' ' 591' ' ' TRP . 44.2 t80 -77.87 -29.3 50.26 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.091 -0.504 . . . . 50.0 111.536 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -89.05 -25.69 21.81 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.067 -0.515 . . . . 75.0 112.076 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.2 m -91.62 -46.0 8.17 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.449 0.537 . . . . 50.0 112.449 -174.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.48 152.1 27.5 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 -177.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -115.9 -12.84 11.35 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.637 -0.71 . . . . 75.0 112.123 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 55.4 p -132.18 -178.81 5.07 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 123.054 0.221 . . . . 50.0 111.288 -177.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -81.26 -36.4 29.97 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 122.492 0.317 . . . . 50.0 111.338 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -78.64 -21.59 48.16 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.358 0.411 . . . . 75.0 111.356 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -86.2 -40.01 16.04 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.293 0.37 . . . . 75.0 110.246 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -56.44 -52.61 64.02 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.27 0.628 . . . . 75.0 111.534 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -67.22 -15.7 63.85 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 112.772 0.656 . . . . 75.0 112.772 177.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -79.63 -36.01 38.54 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.343 0.498 . . . . 75.0 112.343 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.582 ' HB2' ' HG2' ' A' ' 639' ' ' MET . 80.6 mt -66.58 -26.15 66.97 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 112.234 0.457 . . . . 75.0 112.234 177.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.537 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -84.6 -30.82 24.66 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.636 0.374 . . . . 75.0 111.634 178.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.86 -32.98 57.89 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 122.64 0.376 . . . . 25.0 111.82 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -74.73 -25.93 59.45 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 111.832 0.308 . . . . 75.0 111.832 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 652' ' ' LEU . 62.4 mttp -73.02 -26.25 61.25 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-O 121.214 0.531 . . . . 75.0 109.928 171.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.408 HG13 HD23 ' A' ' 607' ' ' LEU . 5.0 mt -74.42 -28.81 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 114.746 -1.115 . . . . 50.0 110.744 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -85.24 -33.73 22.14 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.276 -0.42 . . . . 75.0 111.609 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -71.5 -31.48 67.14 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 112.402 0.519 . . . . 75.0 112.402 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 97.5 mt -76.79 -31.45 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 CA-C-N 116.172 -0.467 . . . . 50.0 109.893 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -66.83 -20.1 65.87 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.359 -0.837 . . . . 50.0 112.286 173.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . 0.491 ' O ' ' HB2' ' A' ' 665' ' ' GLU . 59.7 tttm -77.77 -39.55 43.73 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.276 0.472 . . . . 75.0 112.276 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -71.69 -37.39 70.71 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.704 0.402 . . . . 50.0 112.041 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.66 -19.77 65.91 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.943 -0.571 . . . . 50.0 112.482 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 662' ' ' LYS . 64.9 mt-10 -68.52 -17.89 64.26 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.749 0.42 . . . . 50.0 112.078 178.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . 0.473 ' HB2' ' HZ3' ' A' ' 667' ' ' LYS . 74.7 mm-40 -74.16 -26.73 60.47 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.7 0.4 . . . . 75.0 111.252 174.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' ' 667' ' ' LYS . 1.0 OUTLIER -86.41 -24.24 25.8 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.968 -0.56 . . . . 75.0 111.333 176.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -84.29 -27.44 27.84 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 116.099 -0.5 . . . . 75.0 111.592 -176.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -91.33 -13.11 33.14 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.212 0.32 . . . . 75.0 111.812 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 78.8 p -98.61 -23.17 15.59 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.382 -0.372 . . . . 50.0 111.601 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -97.64 -29.63 13.31 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.429 -0.351 . . . . 75.0 111.285 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 80.9 mt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.015 -0.993 . . . . 50.0 110.94 -178.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.501 -0.24 . . . . 25.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 11.2 t 57.4 94.88 0.05 OUTLIER Pre-proline 0 N--CA 1.484 1.258 0 C-N-CA 124.013 0.925 . . . . 50.0 111.983 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.92 -29.44 49.56 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.791 2.328 . . . . 50.0 113.377 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 144.36 131.04 2.38 Favored Glycine 0 C--N 1.34 0.782 0 CA-C-N 116.181 -0.463 . . . . 50.0 112.266 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -117.39 83.84 17.18 Favored Pre-proline 0 CA--C 1.551 1.009 0 N-CA-C 110.449 -0.204 . . . . 50.0 110.449 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -77.35 -15.04 16.09 Favored 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 122.791 2.327 . . . . 75.0 113.317 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 57.6 t30 63.95 -79.55 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.305 1.042 . . . . 50.0 111.309 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 74.76 124.79 0.14 Allowed Glycine 0 C--N 1.346 1.124 0 C-N-CA 121.717 -0.277 . . . . 50.0 113.25 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 92.8 mt -99.52 22.08 11.29 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 112.112 0.412 . . . . 75.0 112.112 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 96.9 mt -76.27 -4.11 40.2 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.436 0.636 . . . . 50.0 109.747 174.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 47.2 t -161.2 99.36 1.19 Allowed 'General case' 0 C--O 1.238 0.451 0 CA-C-N 114.863 -1.062 . . . . 50.0 109.354 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -104.95 -93.75 2.32 Favored Glycine 0 C--N 1.338 0.683 0 C-N-CA 121.074 -0.584 . . . . 75.0 113.266 -175.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -133.84 -3.95 2.86 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.672 0.272 . . . . 50.0 111.37 -176.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -113.34 -5.15 13.58 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.075 0.464 . . . . 75.0 111.873 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -92.06 -23.04 19.61 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.034 -0.985 . . . . 75.0 111.766 -176.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -80.35 -12.53 59.58 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 120.7 0.285 . . . . 50.0 111.587 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 99.4 p -69.34 -16.91 63.64 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.728 -0.669 . . . . 50.0 111.845 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 78.9 p -89.33 -24.7 21.94 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.92 -0.582 . . . . 75.0 110.885 175.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 94.4 mt -86.4 -26.37 6.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.262 -0.881 . . . . 50.0 111.195 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.79 -17.47 47.46 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.4 0.889 . . . . 50.0 113.4 -173.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -93.84 -17.68 22.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.899 -0.591 . . . . 50.0 110.379 174.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 87.6 mtp -85.23 -33.08 22.29 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.827 -1.079 . . . . 75.0 110.137 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -86.07 -20.16 29.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.349 -0.841 . . . . 50.0 111.885 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -74.59 -29.92 61.5 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.578 0.228 . . . . 75.0 110.959 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.8 p -82.11 -23.39 35.72 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.03 -0.532 . . . . 50.0 111.463 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.21 -23.71 30.39 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.224 -0.444 . . . . 25.0 112.058 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.44 HD13 ' CG ' ' A' ' 612' ' ' PHE . 50.3 mt -78.87 -18.49 53.84 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.879 0.471 . . . . 50.0 112.163 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 90.5 mt -85.75 -28.9 24.28 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.907 0.384 . . . . 50.0 110.608 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.9 p -75.8 -16.17 60.14 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.191 -0.913 . . . . 50.0 112.143 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 71.9 mm-40 -76.69 -25.79 54.02 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.479 0.548 . . . . 75.0 112.479 -178.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 78.8 mt -99.69 -27.66 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 115.354 -0.839 . . . . 50.0 112.385 -178.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 70.0 p -95.81 -33.34 12.29 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.241 0.338 . . . . 50.0 111.81 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 N--CA 1.483 1.195 0 C-N-CA 123.959 0.904 . . . . 50.0 111.88 -179.74 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 112.574 -0.211 . . . . 25.0 112.574 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 59.6 t -90.36 134.62 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 110.21 -0.292 . . . . 75.0 110.21 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -92.0 133.12 36.01 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.859 -0.61 . . . . 75.0 111.408 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.46 ' HB2' ' HD2' ' A' ' 592' ' ' HIS . 99.1 mttt -115.27 124.65 51.88 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.888 -0.596 . . . . 75.0 111.54 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -82.83 -27.44 41.75 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 115.493 -0.776 . . . . 50.0 112.885 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -84.55 -27.86 27.04 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.167 0.587 . . . . 50.0 112.522 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.46 ' HD2' ' HB2' ' A' ' 589' ' ' LYS . 0.0 OUTLIER -73.47 -13.56 61.08 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.103 0.252 . . . . 50.0 111.198 175.443 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -81.82 -32.5 31.21 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.064 0.394 . . . . 75.0 112.064 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -99.16 -23.12 15.35 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.475 0.546 . . . . 50.0 112.475 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 76.9 t -80.3 125.04 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 109.557 -0.535 . . . . 50.0 109.557 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.628 ' HG1' ' H ' ' A' ' 598' ' ' ASP . 73.3 p -112.51 -176.0 2.81 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.347 -0.842 . . . . 25.0 111.463 -177.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -76.08 -17.87 59.44 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.869 -0.605 . . . . 75.0 110.065 168.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . 0.628 ' H ' ' HG1' ' A' ' 596' ' ' THR . 95.9 m-20 -82.68 -35.07 27.15 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 115.86 -0.609 . . . . 75.0 111.928 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 26.8 tp -64.76 -47.24 78.89 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 111.559 0.207 . . . . 75.0 111.559 174.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -59.48 -23.61 62.9 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.446 0.536 . . . . 75.0 112.446 -176.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 94.9 p -83.84 -27.83 28.45 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.135 -0.484 . . . . 75.0 111.024 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -85.31 -22.45 28.52 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 122.767 0.427 . . . . 50.0 110.663 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 24.7 mt -73.96 -34.8 64.39 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.646 -0.706 . . . . 75.0 109.669 173.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.401 ' HA ' HD12 ' A' ' 607' ' ' LEU . 19.9 t -76.39 -34.24 24.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-N 114.7 -1.137 . . . . 50.0 110.794 172.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -70.94 -17.11 62.69 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.925 0.393 . . . . 50.0 110.297 174.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -82.93 -24.1 33.2 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.192 -0.913 . . . . 75.0 109.151 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.439 HD13 HD23 ' A' ' 653' ' ' LEU . 19.8 mt -86.86 -47.59 8.9 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.142 -1.39 . . . . 75.0 111.46 -176.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 63.7 t -65.25 -24.06 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.759 0.824 . . . . 50.0 111.504 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -84.97 -29.67 24.87 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.476 0.179 . . . . 75.0 111.262 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.5 -23.61 50.26 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.559 174.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 90.0 mt -85.42 -55.59 6.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 116.077 -0.51 . . . . 75.0 109.659 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' B' ' 545' ' ' LEU . 81.7 t80 -138.14 102.67 8.2 Favored Pre-proline 0 CA--C 1.55 0.967 0 CA-C-N 116.54 -0.3 . . . . 50.0 110.473 175.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -77.17 135.48 15.28 Favored 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.577 2.185 . . . . 50.0 112.354 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 2.5 t -152.02 127.0 4.71 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -50.92 -51.51 11.04 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 123.953 3.102 . . . . 75.0 114.355 172.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -74.66 116.52 54.25 Favored Pre-proline 0 N--CA 1.472 0.648 0 CA-C-N 115.657 -0.702 . . . . 50.0 112.359 -177.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.67 -10.26 25.83 Favored 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 122.821 2.348 . . . . 50.0 113.766 172.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -73.73 -8.36 55.69 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.706 0.632 . . . . 25.0 112.706 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -82.02 -17.28 47.35 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 122.612 0.365 . . . . 25.0 111.908 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 88.8 mt -82.98 -3.4 57.14 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.19 -0.459 . . . . 50.0 112.078 -177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -105.15 14.44 29.14 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.043 0.449 . . . . 75.0 110.399 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -84.94 153.49 22.79 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.773 -0.649 . . . . 75.0 110.754 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -78.65 -38.84 38.61 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.453 -0.794 . . . . 75.0 110.86 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -73.8 -21.05 60.29 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 114.939 -1.028 . . . . 50.0 112.267 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -89.54 -36.54 15.29 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.312 0.382 . . . . 75.0 111.257 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -55.52 -20.54 13.33 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.278 0.631 . . . . 75.0 112.644 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.92 -38.56 83.07 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 111.85 0.315 . . . . 50.0 111.85 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 1.6 mt -87.04 -27.83 22.96 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 123.174 0.296 . . . . 50.0 111.151 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 72.1 t -58.25 -39.18 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 109.517 -0.549 . . . . 50.0 109.517 170.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -75.24 -18.64 60.06 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.876 -1.056 . . . . 25.0 111.4 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -77.74 -38.03 47.89 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.249 -0.887 . . . . 75.0 110.368 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.25 -21.46 31.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.841 -0.618 . . . . 25.0 111.811 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -60.91 -29.87 69.85 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.919 0.488 . . . . 75.0 112.188 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -85.26 -40.13 16.95 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.791 -0.641 . . . . 75.0 111.613 -175.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.627 ' O ' ' HG2' ' A' ' 639' ' ' MET . 98.0 t -66.98 -26.08 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 116.186 -0.461 . . . . 50.0 112.052 -171.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -68.46 -35.52 77.68 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 122.8 0.44 . . . . 50.0 110.601 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -84.87 -21.96 54.28 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.874 -0.603 . . . . 50.0 113.269 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -77.28 -19.46 56.46 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 122.698 0.399 . . . . 50.0 110.701 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.627 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 39.4 mmt -78.19 -20.75 51.26 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.692 -0.686 . . . . 75.0 111.908 177.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.522 ' CD1' ' C ' ' A' ' 640' ' ' TYR . 0.0 OUTLIER -74.18 -31.87 62.84 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.897 -0.592 . . . . 50.0 111.309 -178.302 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.41 -21.94 24.01 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.262 -0.426 . . . . 75.0 111.77 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 92.7 p -92.79 -30.57 15.42 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.321 0.388 . . . . 50.0 112.022 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -99.24 143.01 29.99 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.207 0.317 . . . . 25.0 111.478 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -110.88 -10.17 14.42 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.889 -0.596 . . . . 75.0 111.867 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 67.6 m -132.26 158.78 40.92 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.361 -0.381 . . . . 75.0 110.628 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -72.01 -25.41 61.81 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.899 0.703 . . . . 50.0 112.899 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 99.1 m-20 -81.58 -24.33 36.56 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.241 0.338 . . . . 75.0 111.066 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -86.37 -39.21 16.65 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.312 0.383 . . . . 75.0 110.181 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -58.21 -50.73 72.53 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.405 0.682 . . . . 75.0 111.429 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -76.4 -16.12 59.78 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.169 0.803 . . . . 75.0 113.169 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . 0.44 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 86.1 t60 -83.23 -44.17 15.29 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 111.676 0.251 . . . . 50.0 111.676 -176.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.611 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 82.7 mt -54.64 -38.04 66.39 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.493 0.717 . . . . 50.0 112.615 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.439 HD23 HD13 ' A' ' 607' ' ' LEU . 95.0 mt -72.36 -34.74 68.2 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.711 -0.677 . . . . 75.0 111.677 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -72.52 -23.61 61.03 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.308 0.38 . . . . 25.0 110.875 174.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -72.56 -38.18 68.01 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.703 -0.681 . . . . 50.0 111.863 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -67.62 -28.62 67.89 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 109.856 -0.424 . . . . 75.0 109.856 173.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 26.3 mt -71.62 -28.4 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 115.286 -0.87 . . . . 50.0 110.79 -176.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -84.47 -37.42 21.37 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.136 -0.484 . . . . 75.0 110.693 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -75.56 -30.37 59.66 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 123.486 0.491 . . . . 75.0 112.156 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 75.3 mt -71.64 -28.98 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 N-CA-C 109.535 -0.543 . . . . 50.0 109.535 174.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -78.21 -19.58 53.53 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.477 -0.783 . . . . 50.0 112.143 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -80.56 -43.11 21.19 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.556 0.342 . . . . 75.0 111.455 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.91 -43.03 80.17 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.842 0.682 . . . . 50.0 112.842 -174.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.58 -22.25 61.5 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 112.104 0.409 . . . . 50.0 112.104 172.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -86.59 -19.16 29.79 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 122.684 0.394 . . . . 75.0 111.055 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -77.11 -25.05 51.75 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 122.648 0.379 . . . . 50.0 111.597 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm -83.8 -17.73 40.09 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.2 -0.454 . . . . 75.0 111.23 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -75.48 -28.95 59.43 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.745 -0.661 . . . . 75.0 111.317 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -91.38 -7.84 49.65 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 111.972 0.36 . . . . 75.0 111.972 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 89.7 p -87.25 -38.67 16.11 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.563 0.579 . . . . 75.0 112.563 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -117.63 -81.39 0.62 Allowed 'General case' 0 CA--C 1.537 0.448 0 O-C-N 123.031 0.207 . . . . 75.0 111.54 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--O 1.251 1.167 0 C-N-CA 122.984 0.514 . . . . 75.0 112.301 178.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.515 -0.234 . . . . 25.0 112.515 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 33.8 t -103.55 133.53 20.24 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-O 119.489 -0.291 . . . . 50.0 111.047 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -71.9 131.03 17.6 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 122.355 2.037 . . . . 75.0 113.434 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 113.45 107.36 2.8 Favored Glycine 0 C--N 1.338 0.661 0 CA-C-N 115.786 -0.643 . . . . 50.0 112.569 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 56.76 93.13 0.05 OUTLIER Pre-proline 0 N--CA 1.485 1.291 0 C-N-CA 123.827 0.851 . . . . 75.0 111.964 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -64.1 -47.17 6.8 Favored 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 122.685 2.257 . . . . 75.0 113.303 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -146.63 -41.14 0.2 Allowed 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.159 0.287 . . . . 50.0 111.686 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 107.43 154.4 19.05 Favored Glycine 0 C--N 1.342 0.901 0 O-C-N 123.427 0.454 . . . . 50.0 112.679 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 95.7 mt -119.65 16.75 12.82 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 120.782 0.325 . . . . 50.0 111.461 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.41 -3.64 15.17 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 121.275 0.559 . . . . 50.0 110.6 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 28.9 t -159.1 108.35 1.91 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.241 -0.89 . . . . 50.0 109.609 -178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -160.92 -65.8 0.02 OUTLIER Glycine 0 C--N 1.336 0.529 0 C-N-CA 121.059 -0.591 . . . . 75.0 113.0 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -130.95 -0.1 4.21 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.769 0.319 . . . . 50.0 110.908 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -95.07 -5.06 45.18 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.024 -0.534 . . . . 75.0 112.417 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -90.92 -28.87 17.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.115 -0.948 . . . . 75.0 111.979 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -89.28 -20.13 24.48 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.904 0.482 . . . . 50.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 96.7 p -73.95 -20.35 60.39 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.881 0.697 . . . . 50.0 112.881 -174.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 81.0 p -89.35 -36.18 15.67 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.22 0.452 . . . . 50.0 112.22 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.7 mt -87.24 -30.29 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 111.988 0.366 . . . . 50.0 111.988 -176.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -80.12 -10.99 59.8 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.905 0.706 . . . . 75.0 112.905 -175.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -102.1 0.94 35.67 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.271 -0.877 . . . . 75.0 109.515 173.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 87.5 mtp -98.75 -31.15 12.04 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.169 -0.923 . . . . 50.0 110.79 173.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -89.74 -19.97 24.13 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.082 0.553 . . . . 50.0 112.437 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -72.19 -24.73 61.46 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.225 0.21 . . . . 75.0 111.346 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 83.7 p -81.89 -29.39 32.44 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.167 -0.47 . . . . 50.0 111.512 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -79.12 -28.94 42.96 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.205 -0.452 . . . . 25.0 111.406 178.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 612' ' ' PHE . 87.4 mt -84.85 -14.75 46.99 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.696 -0.684 . . . . 50.0 111.148 174.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 44.8 tp -81.72 -30.14 32.63 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.64 -0.709 . . . . 75.0 111.258 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.4 p -76.0 -16.18 60.01 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.902 -0.59 . . . . 50.0 112.047 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -74.26 -21.75 59.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.997 0.519 . . . . 75.0 112.255 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 89.4 mt -90.74 -28.34 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 115.192 -0.913 . . . . 50.0 110.696 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 81.0 p -92.27 -41.85 10.17 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.521 -0.309 . . . . 50.0 111.783 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 37.7 p . . . . . 0 C--O 1.249 1.073 0 CA-C-O 117.985 -1.007 . . . . 50.0 110.979 179.762 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.15 0 N-CA-C 112.451 -0.259 . . . . 25.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 56.7 t -90.42 140.76 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 109.961 -0.385 . . . . 75.0 109.961 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -92.13 122.79 34.96 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.069 -0.514 . . . . 50.0 111.024 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -139.05 155.63 47.8 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.557 -0.747 . . . . 75.0 111.122 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -79.94 -18.95 71.27 Favored Glycine 0 C--N 1.342 0.906 0 CA-C-N 115.454 -0.794 . . . . 50.0 114.137 -177.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -84.45 -35.58 22.92 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.949 0.374 . . . . 50.0 111.299 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.466 ' CD2' ' C ' ' A' ' 592' ' ' HIS . 1.7 t-160 -63.84 -38.42 91.03 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.608 0.763 . . . . 50.0 112.161 -177.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -88.35 -8.7 54.66 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.779 0.323 . . . . 50.0 111.588 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -96.9 -25.99 15.23 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.783 -0.644 . . . . 75.0 111.419 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.507 HG11 HD21 ' A' ' 599' ' ' LEU . 32.3 t -82.34 136.28 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-O 120.884 0.374 . . . . 50.0 110.478 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.0 p -107.77 -179.93 4.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.434 -0.803 . . . . 25.0 111.573 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.09 -18.44 55.71 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.83 -0.623 . . . . 75.0 110.096 169.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -83.04 -25.41 32.15 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.765 -0.652 . . . . 50.0 111.252 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.507 HD21 HG11 ' A' ' 595' ' ' VAL . 38.0 tp -66.24 -50.96 61.99 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 122.907 0.129 . . . . 75.0 111.286 174.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -56.35 -31.25 63.59 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.065 0.546 . . . . 75.0 111.974 -175.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.6 p -77.97 -27.9 49.26 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.555 -0.748 . . . . 75.0 111.263 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -84.03 -20.91 31.93 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.05 -0.523 . . . . 50.0 110.681 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 50.5 mt -78.25 -36.13 47.28 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.429 0.691 . . . . 75.0 109.636 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 48.1 t -72.21 -37.59 59.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-N 114.85 -1.068 . . . . 50.0 110.604 171.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.618 ' HA ' HG21 ' A' ' 608' ' ' VAL . 85.9 t60 -72.3 -16.78 61.9 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.243 0.339 . . . . 50.0 110.482 175.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.83 -22.45 29.46 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.644 -0.707 . . . . 75.0 109.276 174.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 632' ' ' ALA . 3.8 tp -86.67 -45.04 11.36 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 114.198 -1.364 . . . . 75.0 111.518 -178.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.618 HG21 ' HA ' ' A' ' 605' ' ' HIS . 33.8 m -69.12 -26.54 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 123.583 0.753 . . . . 50.0 111.649 -177.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -81.68 -37.01 28.1 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.908 0.385 . . . . 75.0 110.686 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.35 72.47 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.249 -0.887 . . . . 25.0 111.719 175.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.555 HG21 HD21 ' A' ' 628' ' ' LEU . 91.7 mt -84.23 -49.45 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 109.533 -0.543 . . . . 75.0 109.533 176.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' A' ' 612' ' ' PHE . 26.2 p90 -141.32 106.85 6.09 Favored Pre-proline 0 CA--C 1.552 1.055 0 O-C-N 123.291 0.369 . . . . 50.0 110.599 174.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -75.98 139.41 21.81 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.444 2.096 . . . . 50.0 112.479 173.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 27.4 m -153.17 129.07 5.2 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 116.298 -0.41 . . . . 25.0 111.782 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -48.61 -58.04 1.99 Allowed 'Trans proline' 0 C--N 1.371 1.729 0 C-N-CA 123.827 3.018 . . . . 75.0 114.242 173.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -89.8 116.62 66.8 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.945 -0.57 . . . . 50.0 111.812 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -64.42 -10.41 23.96 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.791 2.327 . . . . 50.0 114.233 174.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.61 -10.87 59.81 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -177.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . 0.533 ' HB1' HD12 ' B' ' 545' ' ' LEU . . . -84.77 -14.77 47.17 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 111.908 0.336 . . . . 25.0 111.908 178.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 3.1 mt -85.2 3.9 37.14 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.067 -0.515 . . . . 50.0 112.173 -176.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -96.63 15.21 22.37 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.01 0.433 . . . . 75.0 110.994 -176.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -76.88 165.96 23.99 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.738 -0.664 . . . . 75.0 111.598 -174.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -71.74 -55.04 8.39 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 122.754 0.422 . . . . 75.0 111.923 -175.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -71.02 -19.74 62.47 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.02 0.528 . . . . 75.0 112.102 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.5 ttm -79.1 -36.83 40.08 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.603 0.361 . . . . 75.0 111.261 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -54.52 -20.23 7.38 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.67 0.989 . . . . 50.0 113.67 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -73.52 -31.84 63.91 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 122.438 0.295 . . . . 50.0 111.686 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.555 HD21 HG21 ' A' ' 611' ' ' ILE . 21.1 tp -86.2 -32.98 20.91 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 122.7 0.4 . . . . 50.0 110.485 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.62 -35.77 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.076 0.55 . . . . 50.0 110.144 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -80.6 -19.08 46.3 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.245 -0.889 . . . . 25.0 111.782 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -41.75 67.85 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.219 -0.446 . . . . 75.0 110.301 170.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . 0.422 ' HB3' HD22 ' A' ' 607' ' ' LEU . . . -83.33 -24.71 32.0 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.753 -177.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -73.74 -22.39 59.89 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.105 -0.498 . . . . 75.0 110.727 175.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -85.56 -36.08 20.67 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.213 -0.903 . . . . 75.0 111.561 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 39.7 t -73.8 -42.83 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 112.275 0.472 . . . . 50.0 112.275 -174.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -55.96 -31.85 63.33 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.762 0.825 . . . . 50.0 112.295 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -76.44 -19.15 78.51 Favored Glycine 0 C--N 1.344 0.983 0 O-C-N 123.38 0.425 . . . . 50.0 113.278 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -84.68 -19.47 32.78 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 122.666 0.386 . . . . 50.0 111.078 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.773 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 20.9 mtm -74.88 -20.85 59.56 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.231 0.456 . . . . 75.0 112.231 178.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -79.13 -32.08 44.34 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.202 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -89.1 -26.5 21.32 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.072 -0.513 . . . . 75.0 112.177 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 m -88.86 -46.38 8.98 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.207 0.447 . . . . 75.0 112.207 -174.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -83.77 153.08 24.31 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -114.22 -14.16 12.31 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.71 -0.677 . . . . 75.0 111.935 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.2 p -132.07 161.22 33.77 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.289 0.368 . . . . 50.0 110.438 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -74.36 -23.86 59.07 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.994 -0.548 . . . . 75.0 112.05 -174.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -81.3 -25.7 36.29 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.179 0.3 . . . . 50.0 111.472 176.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -85.58 -41.58 15.13 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.147 -0.479 . . . . 75.0 110.126 176.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . 0.432 ' HD1' ' O ' ' A' ' 639' ' ' MET . 79.1 t80 -56.98 -49.73 74.84 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.544 0.738 . . . . 75.0 111.29 178.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.415 ' OH ' HD23 ' A' ' 599' ' ' LEU . 19.0 m-30 -66.41 -15.64 63.47 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.957 0.725 . . . . 75.0 112.957 173.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -82.64 -42.99 17.49 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.231 0.456 . . . . 50.0 112.231 -175.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.53 -22.56 61.84 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.2 0.444 . . . . 75.0 112.2 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.773 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 1.0 OUTLIER -87.67 -36.28 17.52 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.897 0.479 . . . . 75.0 110.918 177.663 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.19 -21.9 60.58 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.943 -0.571 . . . . 25.0 111.5 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -75.17 -38.37 60.9 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.042 -0.526 . . . . 75.0 112.143 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -68.65 -28.05 66.54 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.542 -0.54 . . . . 75.0 109.542 172.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 17.7 mt -72.59 -41.38 63.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 115.535 -0.757 . . . . 50.0 110.711 -176.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -78.25 -26.3 47.17 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 120.957 0.408 . . . . 75.0 110.416 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -78.07 -35.28 49.71 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 115.145 -0.934 . . . . 50.0 112.215 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 96.7 mt -80.22 -31.68 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 110.248 -0.279 . . . . 50.0 110.248 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.16 -19.14 64.21 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.862 -0.608 . . . . 50.0 112.276 174.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.05 -41.55 95.07 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.076 0.55 . . . . 75.0 111.946 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -71.94 -39.85 69.15 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 123.389 0.431 . . . . 75.0 111.234 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.33 -21.45 65.66 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.929 -0.578 . . . . 50.0 112.296 173.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -70.87 -26.32 63.2 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.781 0.432 . . . . 75.0 111.587 -176.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -78.48 -26.81 46.15 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.2 0.312 . . . . 50.0 110.662 173.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -86.62 -17.71 33.22 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.549 -0.75 . . . . 75.0 111.162 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -78.46 -27.25 46.34 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 122.722 0.409 . . . . 75.0 111.196 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -91.53 -10.1 41.94 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.293 -0.412 . . . . 75.0 111.785 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 99.4 p -88.74 -36.64 16.02 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.076 0.398 . . . . 75.0 112.076 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -84.98 -21.33 29.56 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 112.193 0.442 . . . . 75.0 112.193 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--O 1.248 1.021 0 CA-C-O 117.972 -1.013 . . . . 50.0 110.949 -174.512 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.442 -0.263 . . . . 25.0 112.442 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 42.0 t -118.4 131.36 24.27 Favored Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 123.642 0.26 . . . . 50.0 110.763 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -72.8 141.22 33.4 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.387 2.058 . . . . 75.0 113.348 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 142.05 137.32 3.35 Favored Glycine 0 C--N 1.337 0.593 0 CA-C-N 115.835 -0.62 . . . . 50.0 112.497 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -125.32 120.4 24.97 Favored Pre-proline 0 CA--C 1.546 0.802 0 CA-C-O 119.572 -0.251 . . . . 50.0 110.463 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.53 147.18 28.13 Favored 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 122.267 1.978 . . . . 75.0 113.309 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -104.81 -34.58 8.04 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.914 -0.585 . . . . 50.0 111.849 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 109.02 -176.51 19.84 Favored Glycine 0 C--N 1.342 0.88 0 C-N-CA 121.423 -0.418 . . . . 50.0 113.337 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . 0.539 ' C ' ' H ' ' B' ' 529' ' ' SER . 85.0 mt -129.74 -164.99 1.47 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.715 0.406 . . . . 50.0 110.715 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 82.2 mt 66.56 -18.93 0.11 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.796 1.238 . . . . 50.0 112.314 -177.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 529' ' ' SER . . . . . 0.539 ' H ' ' C ' ' B' ' 527' ' ' LEU . 47.1 t -134.54 66.54 1.53 Allowed 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.545 0.688 . . . . 50.0 109.661 176.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -96.56 39.4 2.82 Favored Glycine 0 C--N 1.34 0.802 0 CA-C-N 115.302 -0.863 . . . . 50.0 113.083 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -129.44 -2.2 4.94 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.879 0.371 . . . . 75.0 110.908 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -94.2 -5.04 47.91 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.594 -0.73 . . . . 75.0 111.713 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -86.67 -9.95 54.85 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 114.822 -1.081 . . . . 75.0 112.153 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . 0.477 ' O ' ' HB3' ' B' ' 538' ' ' ALA . 76.6 m-85 -83.56 -11.8 56.91 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.531 0.682 . . . . 75.0 111.565 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 91.9 p -84.51 -34.5 23.32 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.331 -1.304 . . . . 75.0 110.277 176.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 89.7 p -90.96 -44.61 9.24 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.802 -0.636 . . . . 50.0 112.133 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.0 mt -86.71 -45.0 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 112.329 0.492 . . . . 50.0 112.329 -172.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' B' ' 534' ' ' PHE . . . -76.73 -10.93 59.73 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.321 0.86 . . . . 50.0 113.321 -171.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -101.44 -17.55 16.41 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.583 -0.735 . . . . 75.0 109.749 174.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 39.3 mtp -83.45 -22.2 32.68 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.653 -0.703 . . . . 50.0 110.917 170.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -85.59 -31.78 22.44 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.522 -0.763 . . . . 50.0 112.274 -175.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . 0.415 ' O ' ' CD1' ' B' ' 542' ' ' PHE . 4.2 t80 -85.52 -19.04 31.77 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 112.586 0.587 . . . . 75.0 112.586 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.0 p -64.43 -22.39 66.94 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.186 0.594 . . . . 50.0 112.388 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -82.19 -23.06 35.67 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.533 HD12 ' HB1' ' A' ' 619' ' ' ALA . 14.6 tp -81.94 -15.27 54.39 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.628 0.603 . . . . 50.0 112.628 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.0 mt -83.25 -33.26 26.08 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.02 0.438 . . . . 50.0 110.767 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.5 p -75.83 -16.52 60.07 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.185 -0.916 . . . . 75.0 112.354 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -83.12 -12.47 57.01 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.158 0.429 . . . . 75.0 112.158 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.0 mt -104.89 -32.16 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.86 -0.609 . . . . 50.0 110.381 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 85.7 p -95.82 -39.86 9.63 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.307 -0.406 . . . . 50.0 111.765 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 117.993 -1.003 . . . . 50.0 111.794 -179.483 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 N-CA-C 112.522 -0.231 . . . . 25.0 112.522 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 84.4 t -90.29 130.52 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 N-CA-C 110.09 -0.337 . . . . 75.0 110.09 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -91.33 130.84 37.14 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.924 -0.58 . . . . 50.0 111.546 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -115.56 -174.25 2.48 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.835 -0.62 . . . . 75.0 111.058 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -66.3 -36.72 92.08 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 114.041 0.376 . . . . 50.0 114.041 -177.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 30.1 p-90 -69.31 -31.79 70.49 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.588 0.588 . . . . 50.0 112.588 -177.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -13.14 60.58 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 116.395 -0.366 . . . . 50.0 111.549 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.36 -26.98 26.16 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.502 0.556 . . . . 50.0 112.502 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -106.68 -24.04 12.25 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.056 0.762 . . . . 50.0 113.056 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 53.5 t -77.07 127.36 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 120.978 0.418 . . . . 50.0 110.343 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 53.6 p -111.28 -175.14 2.63 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.171 -0.922 . . . . 25.0 111.437 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -72.38 -18.3 61.75 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.901 -0.591 . . . . 75.0 109.962 168.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -78.4 -36.03 46.31 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 115.754 -0.657 . . . . 75.0 112.021 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 50.5 tp -62.47 -48.75 78.25 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 111.457 0.169 . . . . 75.0 111.457 173.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -56.49 -30.13 62.6 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.105 0.562 . . . . 75.0 112.047 -175.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.8 p -78.53 -30.4 46.99 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.552 -0.749 . . . . 75.0 111.576 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -81.01 -21.21 40.38 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.038 0.447 . . . . 50.0 110.315 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.75 -32.58 60.05 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.179 0.992 . . . . 50.0 110.015 173.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 77.6 t -83.33 -30.9 8.28 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.022 -0.99 . . . . 50.0 110.832 176.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -75.85 -17.24 59.89 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.661 0.384 . . . . 50.0 110.474 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -85.14 -25.52 27.41 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 122.059 0.933 . . . . 75.0 108.893 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 49.0 tp -87.12 -40.16 14.9 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 113.194 -1.821 . . . . 75.0 111.512 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 42.5 t -74.72 -22.63 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.173 0.589 . . . . 50.0 111.549 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -83.43 -25.72 31.0 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.551 0.215 . . . . 75.0 111.352 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -79.01 -27.84 43.29 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.385 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.516 HG12 HG23 ' A' ' 660' ' ' ILE . 89.2 mt -81.19 -51.89 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 109.101 -0.703 . . . . 75.0 109.101 176.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.473 ' CG ' HD12 ' B' ' 545' ' ' LEU . 68.6 t80 -145.04 113.69 4.91 Favored Pre-proline 0 CA--C 1.549 0.912 0 CA-C-N 116.176 -0.466 . . . . 50.0 110.117 171.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -65.77 135.13 40.32 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.347 2.031 . . . . 50.0 112.139 173.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.65 114.78 56.55 Favored Pre-proline 0 C--O 1.236 0.371 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 -175.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -61.56 -51.97 3.61 Favored 'Trans proline' 0 C--N 1.369 1.657 0 C-N-CA 123.359 2.706 . . . . 75.0 112.591 166.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -107.66 124.33 35.28 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 114.895 -1.048 . . . . 50.0 111.429 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -61.93 -9.99 16.1 Favored 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 123.109 2.539 . . . . 50.0 114.096 174.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.72 -7.99 57.3 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.808 0.67 . . . . 25.0 112.808 -177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.2 -8.28 59.5 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 80.3 mt -84.14 -4.88 59.1 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.337 0.495 . . . . 75.0 112.337 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -107.42 14.72 25.64 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.84 0.353 . . . . 75.0 111.366 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -83.61 166.05 18.51 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.135 -0.484 . . . . 75.0 111.37 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -71.72 -54.71 9.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.948 0.499 . . . . 75.0 111.449 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -68.79 -29.74 68.17 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.773 0.656 . . . . 50.0 112.773 -177.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.2 tpt -77.76 -38.65 46.44 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.367 0.267 . . . . 75.0 111.677 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -56.71 -19.89 19.04 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.09 0.556 . . . . 75.0 112.205 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.55 -38.03 80.46 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.568 0.581 . . . . 50.0 112.568 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 94.4 mt -86.47 -30.47 22.0 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 120.445 0.164 . . . . 50.0 110.907 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.489 ' O ' ' HG3' ' A' ' 633' ' ' LYS . 74.5 t -56.34 -34.18 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 109.563 -0.532 . . . . 50.0 109.563 170.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -77.44 -18.64 57.02 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 114.869 -1.06 . . . . 25.0 111.42 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -74.54 -41.84 59.89 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.688 0.395 . . . . 75.0 110.27 169.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -81.8 -25.53 35.16 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.938 -0.573 . . . . 25.0 112.397 -173.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 629' ' ' VAL . 24.2 mttt -69.58 -27.09 64.82 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.695 0.628 . . . . 75.0 112.695 -176.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.537 ' HB3' HD11 ' B' ' 527' ' ' LEU . 49.2 mmtm -82.23 -35.44 28.19 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.816 0.446 . . . . 75.0 111.401 -177.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.459 HG12 ' HD2' ' A' ' 656' ' ' LYS . 78.6 t -70.03 -46.26 73.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 115.567 -0.742 . . . . 50.0 112.59 -168.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.551 ' HA ' ' HE2' ' A' ' 639' ' ' MET . 2.6 pp20? -55.66 -30.86 61.75 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.43 0.692 . . . . 50.0 112.135 -175.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -80.13 -19.48 69.56 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 116.287 -0.415 . . . . 50.0 113.141 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -84.98 -19.74 31.62 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 122.745 0.418 . . . . 50.0 110.968 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.696 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 45.1 mtm -73.56 -20.85 60.52 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.154 0.427 . . . . 75.0 112.154 177.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.566 ' CD1' ' C ' ' A' ' 640' ' ' TYR . 0.0 OUTLIER -78.6 -31.87 47.3 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.746 0.418 . . . . 50.0 111.857 -176.31 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . 0.46 ' HG2' ' CE2' ' A' ' 640' ' ' TYR . 3.3 mm-40 -88.25 -22.71 23.8 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.322 0.389 . . . . 75.0 111.957 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 29.9 m -90.57 -44.82 9.31 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.049 0.388 . . . . 50.0 112.049 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.56 159.89 16.23 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.318 0.386 . . . . 25.0 111.978 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -120.08 -19.77 7.67 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.926 -0.579 . . . . 50.0 111.475 -178.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 80.1 p -132.0 159.07 39.83 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.323 0.249 . . . . 75.0 110.641 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 8.1 ptt-85 -68.76 -19.59 64.33 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.019 0.748 . . . . 50.0 113.019 -175.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 79.0 m-20 -81.21 -30.39 34.29 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 123.211 0.319 . . . . 75.0 110.73 177.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -86.39 -45.53 11.1 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 123.413 0.446 . . . . 75.0 110.37 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . 0.408 ' HD2' ' CD1' ' A' ' 650' ' ' TYR . 83.6 t80 -55.85 -52.03 65.47 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.678 0.791 . . . . 75.0 111.488 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.408 ' CD1' ' HD2' ' A' ' 649' ' ' TYR . 16.9 m-30 -64.28 -15.61 60.51 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.936 0.717 . . . . 75.0 112.936 173.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 1.2 t60 -83.42 -42.78 16.59 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.23 0.456 . . . . 50.0 112.23 -175.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.26 -23.79 62.67 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 112.31 0.485 . . . . 75.0 112.31 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.696 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -87.26 -34.94 18.76 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 122.774 0.43 . . . . 75.0 110.549 177.305 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -72.28 -22.35 61.23 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.848 -0.615 . . . . 25.0 111.325 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -76.39 -36.74 57.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.871 -0.604 . . . . 75.0 112.205 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.459 ' HD2' HG12 ' A' ' 635' ' ' VAL . 57.3 mttp -71.3 -26.25 62.78 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.368 -0.604 . . . . 75.0 109.368 172.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 6.4 mt -71.89 -30.0 35.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 115.27 -0.877 . . . . 50.0 110.425 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -84.4 -33.44 23.76 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.211 -0.45 . . . . 75.0 111.093 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.413 ' NZ ' ' OE2' ' B' ' 532' ' ' GLU . 88.5 tttt -77.53 -30.36 52.81 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 112.253 0.464 . . . . 75.0 112.253 -177.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.516 HG23 HG12 ' A' ' 611' ' ' ILE . 90.9 mt -76.94 -29.64 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 109.794 -0.447 . . . . 50.0 109.794 176.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -70.8 -19.65 62.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.489 -0.778 . . . . 50.0 111.85 172.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -79.29 -40.72 29.75 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.776 0.43 . . . . 75.0 112.107 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -69.12 -41.69 77.05 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.605 0.594 . . . . 50.0 112.605 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 68.2 mt -60.0 -21.15 60.92 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 112.486 0.55 . . . . 50.0 112.486 173.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -86.53 -18.13 32.33 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 122.518 0.327 . . . . 50.0 111.479 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -75.78 -24.89 56.04 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 122.699 0.4 . . . . 50.0 111.457 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -85.98 -22.88 27.11 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.096 -0.502 . . . . 75.0 111.116 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -87.31 -25.51 23.87 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.632 -0.713 . . . . 75.0 111.462 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -91.72 -18.38 24.01 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 111.779 0.289 . . . . 75.0 111.779 -178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 61.8 p -92.23 -38.82 11.88 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.654 0.613 . . . . 75.0 112.654 -174.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -112.16 -75.79 0.6 Allowed 'General case' 0 C--O 1.234 0.283 0 N-CA-C 112.369 0.507 . . . . 75.0 112.369 -176.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 81.4 mt . . . . . 0 C--O 1.252 1.224 0 CA-C-N 115.727 -0.669 . . . . 50.0 111.123 -178.062 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 112.579 -0.208 . . . . 25.0 112.579 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 19.1 t -120.57 133.79 24.1 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 122.42 0.288 . . . . 50.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.05 138.69 31.42 Favored 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 122.399 2.066 . . . . 75.0 113.418 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -158.95 148.34 17.19 Favored Glycine 0 C--N 1.339 0.714 0 CA-C-N 115.865 -0.607 . . . . 50.0 112.763 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -108.9 97.99 27.39 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 122.387 0.275 . . . . 50.0 110.357 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -67.69 162.78 37.84 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.744 2.296 . . . . 75.0 113.219 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 64.38 120.9 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.268 1.027 . . . . 50.0 111.728 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -176.94 48.9 0.11 Allowed Glycine 0 C--N 1.338 0.668 0 CA-C-N 115.587 -0.733 . . . . 50.0 112.747 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 634' ' ' LYS . 7.6 mt -122.13 30.23 6.68 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 112.015 0.376 . . . . 50.0 112.015 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 84.5 mt -74.62 82.21 2.03 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.504 0.669 . . . . 50.0 109.884 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 23.0 t 63.31 94.46 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 115.051 -0.977 . . . . 50.0 111.421 -177.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 178.63 85.51 0.06 OUTLIER Glycine 0 C--N 1.337 0.61 0 CA-C-N 115.423 -0.808 . . . . 75.0 112.581 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -135.14 -11.27 2.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.755 -0.723 . . . . 50.0 110.802 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . 0.413 ' OE2' ' NZ ' ' A' ' 659' ' ' LYS . 9.0 mt-10 -118.69 -4.59 10.74 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.691 -0.686 . . . . 75.0 111.84 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -91.22 -9.64 44.55 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.083 -0.962 . . . . 75.0 111.904 -175.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -82.29 -12.13 58.21 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.637 0.256 . . . . 75.0 111.62 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 89.7 p -66.71 -21.21 66.09 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.831 -0.622 . . . . 75.0 111.773 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 87.4 p -85.51 -24.62 27.25 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.727 -0.67 . . . . 50.0 110.718 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.54 -32.06 6.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 115.677 -0.692 . . . . 50.0 110.938 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.77 -11.19 59.11 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.879 0.696 . . . . 50.0 112.879 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -99.03 -11.76 21.2 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.564 -0.744 . . . . 75.0 109.92 174.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 97.7 mtp -94.4 -27.57 15.98 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.569 -0.741 . . . . 50.0 110.995 172.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 84.1 m-20 -89.45 -19.61 24.92 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.536 -0.757 . . . . 50.0 111.608 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -72.33 -28.13 62.87 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 122.975 0.172 . . . . 75.0 111.243 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 99.4 p -81.93 -23.94 35.89 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.4 0.438 . . . . 50.0 111.659 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.35 -22.61 30.49 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.164 0.431 . . . . 25.0 112.164 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.473 HD12 ' CG ' ' A' ' 612' ' ' PHE . 85.7 mt -83.18 -18.2 40.19 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.321 0.489 . . . . 50.0 112.321 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.2 mt -84.55 -28.86 26.35 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.944 0.402 . . . . 50.0 110.805 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.6 p -75.89 -15.57 60.18 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.257 -0.883 . . . . 75.0 112.348 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -69.02 -14.09 62.83 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 112.902 0.705 . . . . 75.0 112.902 -176.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 78.9 mt -104.73 -25.23 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 112.278 0.473 . . . . 50.0 112.278 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 85.7 p -95.06 -41.45 9.12 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.177 0.298 . . . . 50.0 111.683 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--O 1.253 1.265 0 CA-C-O 118.699 -0.667 . . . . 50.0 111.01 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.452 -0.259 . . . . 25.0 112.452 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 95.2 t -90.38 140.18 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 111.819 0.303 . . . . 50.0 111.819 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -92.47 123.9 36.12 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.812 -0.631 . . . . 50.0 110.799 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 591' ' ' TRP . 97.9 mttt -123.41 -169.14 1.89 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.018 -0.537 . . . . 50.0 109.831 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -54.04 -21.21 16.8 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 114.703 0.641 . . . . 50.0 114.703 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . 0.467 ' CD1' ' HB2' ' A' ' 589' ' ' LYS . 57.7 p-90 -68.15 -33.13 73.9 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.14 0.576 . . . . 50.0 112.535 178.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.19 -12.91 60.4 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.325 0.25 . . . . 50.0 111.155 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -81.97 -21.52 37.12 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.132 -0.485 . . . . 75.0 111.899 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -115.13 -24.13 8.68 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.752 0.649 . . . . 50.0 112.752 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.436 HG21 ' HE2' ' A' ' 649' ' ' TYR . 77.7 t -80.44 125.24 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-O 121.042 0.449 . . . . 50.0 110.038 178.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 73.2 p -112.45 -175.61 2.72 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.074 -0.966 . . . . 25.0 111.164 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -75.29 -18.25 60.1 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.069 -0.514 . . . . 75.0 110.308 168.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -84.6 -36.03 22.31 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 115.881 -0.599 . . . . 75.0 112.246 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.63 -46.9 87.81 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 117.761 0.255 . . . . 75.0 111.472 176.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.506 ' HG2' ' HH ' ' A' ' 640' ' ' TYR . 23.9 mtp180 -55.43 -29.5 58.73 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.11 0.564 . . . . 75.0 111.999 -176.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 83.5 p -78.19 -32.17 49.89 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.507 -0.769 . . . . 75.0 111.798 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -82.97 -21.62 33.93 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.633 0.373 . . . . 50.0 110.711 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.566 ' CD1' ' HH ' ' A' ' 649' ' ' TYR . 37.5 mt -71.52 -31.59 67.22 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.772 0.829 . . . . 50.0 110.239 173.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 28.0 t -83.4 -33.55 10.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 115.098 -0.955 . . . . 50.0 110.869 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.527 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 80.1 t60 -74.94 -16.81 60.63 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 122.61 0.364 . . . . 50.0 110.789 176.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -85.76 -27.81 24.98 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 122.134 0.969 . . . . 75.0 108.671 176.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 14.3 tp -87.08 -37.97 16.93 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 113.017 -1.901 . . . . 75.0 111.619 -175.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 77.6 t -75.93 -24.76 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.163 0.585 . . . . 50.0 111.279 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 99.6 mm-40 -83.65 -25.81 30.44 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.491 0.186 . . . . 75.0 111.313 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -76.41 -31.86 58.18 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 116.036 -0.529 . . . . 25.0 111.275 174.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.553 HG12 HG23 ' A' ' 660' ' ' ILE . 88.5 mt -78.81 -56.46 7.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 N-CA-C 109.527 -0.545 . . . . 75.0 109.527 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.429 ' CG ' HD13 ' B' ' 545' ' ' LEU . 69.4 t80 -142.85 110.94 5.66 Favored Pre-proline 0 CA--C 1.547 0.841 0 O-C-N 123.328 0.392 . . . . 50.0 110.301 172.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -68.45 134.81 31.92 Favored 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 122.28 1.987 . . . . 50.0 112.215 173.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.02 113.28 64.91 Favored Pre-proline 0 C--O 1.236 0.352 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 -177.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -59.96 -51.6 5.54 Favored 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 123.416 2.744 . . . . 75.0 112.634 167.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -107.06 123.19 39.16 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 114.813 -1.085 . . . . 50.0 111.098 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -60.83 -10.47 14.59 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 123.004 2.469 . . . . 50.0 114.25 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.24 -8.28 56.72 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.48 -17.72 47.67 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.724 0.41 . . . . 25.0 112.017 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 90.7 mt -81.19 2.4 27.87 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.222 -0.444 . . . . 50.0 112.159 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -101.49 14.58 31.53 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.111 0.481 . . . . 75.0 110.784 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.29 153.41 20.91 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.594 -0.73 . . . . 75.0 110.776 -177.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 14.4 mmp_? -79.66 -37.48 35.82 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.3 -0.864 . . . . 75.0 110.76 -176.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.431 ' CZ ' ' HB1' ' B' ' 544' ' ' ALA . 62.6 mtm180 -72.59 -28.03 62.54 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 114.816 -1.084 . . . . 50.0 112.049 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -80.9 -37.08 30.29 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 122.572 0.349 . . . . 75.0 111.063 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.33 -20.31 18.42 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.426 0.691 . . . . 75.0 112.446 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -70.84 -35.81 72.6 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 112.572 0.582 . . . . 50.0 112.572 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 96.0 mt -86.44 -29.75 22.59 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 110.482 -0.192 . . . . 50.0 110.482 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.47 -32.33 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 122.869 0.468 . . . . 50.0 109.834 170.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -80.59 -19.25 45.95 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 114.95 -1.023 . . . . 25.0 111.525 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -74.13 -41.74 61.11 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.858 0.463 . . . . 75.0 110.112 169.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -79.33 -37.86 36.58 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.053 -0.521 . . . . 25.0 111.941 -174.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -66.31 -21.49 66.26 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.145 0.578 . . . . 75.0 111.037 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -86.24 -37.23 18.82 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.206 -0.906 . . . . 75.0 112.217 -177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.508 HG11 ' HD2' ' A' ' 656' ' ' LYS . 25.5 t -67.53 -48.07 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 N-CA-C 113.487 0.921 . . . . 50.0 113.487 -168.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -63.78 -21.58 66.49 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 112.937 0.717 . . . . 50.0 112.937 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -72.37 -26.33 72.23 Favored Glycine 0 C--N 1.344 0.985 0 O-C-N 123.207 0.317 . . . . 50.0 112.687 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -87.53 -19.04 28.45 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 122.936 0.494 . . . . 50.0 110.739 176.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.595 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 31.9 mmt -70.35 -26.01 63.55 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.718 0.636 . . . . 75.0 112.718 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.506 ' HH ' ' HG2' ' A' ' 600' ' ' ARG . 68.0 m-85 -78.08 -25.1 47.46 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.48 -0.327 . . . . 50.0 111.271 -177.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -88.94 -23.34 22.71 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.243 -0.435 . . . . 75.0 111.834 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 55.1 p -96.12 -39.1 9.88 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.324 0.49 . . . . 50.0 112.324 -176.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -89.66 153.79 20.46 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.714 0.264 . . . . 25.0 111.714 -177.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -121.73 -14.11 8.19 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.91 -0.586 . . . . 50.0 111.147 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 51.5 p -131.97 165.48 23.85 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.628 -0.26 . . . . 50.0 110.848 -176.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -68.97 -31.82 70.95 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.075 0.55 . . . . 50.0 111.705 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 98.9 m-20 -80.73 -23.69 39.29 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.053 0.39 . . . . 50.0 112.053 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -86.44 -38.29 17.48 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.945 -0.391 . . . . 75.0 109.945 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . 0.566 ' HH ' ' CD1' ' A' ' 603' ' ' LEU . 0.8 OUTLIER -58.97 -54.73 43.8 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.067 0.547 . . . . 75.0 111.316 177.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -72.1 -21.48 61.48 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.809 1.04 . . . . 75.0 113.809 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 1.3 m-70 -81.3 -34.23 32.08 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 111.71 0.263 . . . . 75.0 111.71 -177.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.595 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 72.3 mt -61.99 -38.2 87.72 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.392 0.677 . . . . 50.0 112.295 175.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.62 -30.29 61.6 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.935 -0.575 . . . . 75.0 112.312 173.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.433 ' O ' ' CD1' ' A' ' 658' ' ' TYR . . . -78.38 -27.0 46.78 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -76.18 -30.88 58.24 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.233 0.456 . . . . 75.0 112.233 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.508 ' HD2' HG11 ' A' ' 635' ' ' VAL . 23.5 mttm -69.93 -28.67 65.77 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.324 -0.621 . . . . 75.0 109.324 171.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 3.5 mt -67.68 -32.0 54.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 114.964 -1.016 . . . . 50.0 110.698 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 654' ' ' ALA . 60.7 m-85 -85.56 -34.43 21.48 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.284 -0.416 . . . . 75.0 111.461 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -71.78 -33.7 68.82 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.437 0.532 . . . . 75.0 112.437 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.553 HG23 HG12 ' A' ' 611' ' ' ILE . 96.8 mt -74.12 -28.69 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 116.105 -0.498 . . . . 50.0 109.849 177.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -70.37 -19.8 63.0 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.38 -0.827 . . . . 50.0 111.917 171.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 665' ' ' GLU . 30.2 ttpt -81.09 -38.08 27.89 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.973 0.509 . . . . 75.0 112.243 178.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -70.31 -41.1 73.74 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 122.982 0.513 . . . . 50.0 112.261 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.19 -21.62 66.33 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 116.066 -0.515 . . . . 50.0 112.28 172.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . 0.507 ' HB2' ' O ' ' A' ' 662' ' ' LYS . 12.5 mm-40 -72.46 -17.17 61.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 122.875 0.47 . . . . 75.0 111.091 178.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -70.91 -22.36 62.26 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.709 0.404 . . . . 50.0 111.306 174.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -83.0 -27.19 30.56 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.12 -0.491 . . . . 75.0 110.614 174.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -87.19 -20.93 26.26 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.683 -0.69 . . . . 75.0 111.52 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -91.56 -26.06 18.92 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.47 -0.332 . . . . 75.0 111.418 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 76.5 p -91.95 -39.12 11.87 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.611 -0.268 . . . . 50.0 111.656 -177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 53.2 94.07 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.778 0.831 . . . . 75.0 112.057 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 57.4 tp . . . . . 0 N--CA 1.48 1.064 0 C-N-CA 124.497 1.119 . . . . 50.0 113.621 -178.754 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.116 0 N-CA-C 112.494 -0.242 . . . . 25.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 12.8 t -107.77 124.58 34.46 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 122.306 0.243 . . . . 50.0 110.693 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -73.92 -24.75 14.95 Favored 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 122.42 2.08 . . . . 75.0 113.919 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 112.49 -69.09 0.23 Allowed Glycine 0 C--N 1.341 0.81 0 O-C-N 123.381 0.426 . . . . 50.0 112.714 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -117.98 98.61 51.66 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 122.425 0.29 . . . . 50.0 111.301 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.84 -10.44 26.33 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.769 2.313 . . . . 75.0 113.748 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -84.48 -19.29 33.57 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.29 0.478 . . . . 50.0 112.29 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -97.95 154.75 20.29 Favored Glycine 0 C--N 1.341 0.823 0 C-N-CA 121.452 -0.404 . . . . 50.0 112.91 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 96.5 mt -116.73 30.51 7.29 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 120.902 0.382 . . . . 50.0 111.791 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 90.3 mt -74.19 -6.86 50.31 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.12 -0.491 . . . . 50.0 110.649 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 38.7 t -142.48 91.49 2.33 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.445 -0.798 . . . . 50.0 110.138 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -163.89 -86.77 0.06 OUTLIER Glycine 0 C--N 1.336 0.57 0 CA-C-N 115.508 -0.769 . . . . 75.0 112.368 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -131.49 -4.01 3.77 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 120.844 0.354 . . . . 50.0 110.696 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -99.95 -4.1 30.87 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.759 -0.655 . . . . 75.0 112.483 -178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.64 -40.16 56.63 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.294 -0.867 . . . . 75.0 111.948 -175.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -88.23 -11.48 46.52 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.735 0.303 . . . . 75.0 111.341 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 53.4 p -67.53 -19.98 65.37 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.622 -0.717 . . . . 75.0 111.465 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 65.1 p -80.45 -27.78 37.83 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.96 -0.564 . . . . 75.0 110.735 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.5 mt -86.63 -32.4 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-N 115.305 -0.861 . . . . 50.0 110.926 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -82.26 -11.82 58.42 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.879 0.696 . . . . 50.0 112.879 -177.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -102.09 -7.69 22.07 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.406 -0.815 . . . . 75.0 109.528 174.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 49.6 ttm -95.21 -32.07 13.21 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.029 -0.987 . . . . 75.0 109.858 174.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . 0.476 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 98.5 m-20 -88.34 -19.75 26.26 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.268 -0.878 . . . . 50.0 111.927 -177.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -71.67 -26.25 62.45 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.418 0.152 . . . . 75.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 95.0 p -81.9 -26.45 34.1 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.132 -0.485 . . . . 50.0 111.577 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . 0.431 ' HB1' ' CZ ' ' A' ' 624' ' ' ARG . . . -84.23 -22.84 30.69 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.282 -0.417 . . . . 25.0 111.814 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 71.0 mt -80.16 -15.86 56.15 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.119 -0.491 . . . . 50.0 112.311 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 95.6 mt -81.29 -26.22 35.88 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 121.05 0.452 . . . . 50.0 110.626 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 60.6 p -75.83 -15.73 60.19 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.104 -0.953 . . . . 50.0 112.116 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -70.37 -12.9 61.89 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.085 0.772 . . . . 75.0 113.085 -176.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 40.9 pt -104.81 -17.81 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 112.365 0.505 . . . . 75.0 112.365 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 78.5 p -98.87 -40.53 8.05 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.538 -0.301 . . . . 50.0 111.303 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 C--O 1.252 1.188 0 CA-C-O 118.836 -0.602 . . . . 50.0 110.894 -179.893 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.453 -0.259 . . . . 25.0 112.453 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 85.8 t -90.16 134.68 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 109.983 -0.377 . . . . 75.0 109.983 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -91.28 129.42 37.27 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.887 -0.597 . . . . 50.0 111.49 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -114.6 -174.27 2.45 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.874 -0.603 . . . . 75.0 110.772 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -62.9 -41.97 99.77 Favored Glycine 0 C--N 1.347 1.169 0 N-CA-C 114.142 0.417 . . . . 50.0 114.142 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -68.0 -32.61 73.11 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.59 0.589 . . . . 50.0 112.59 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -73.35 -18.94 61.12 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.598 -0.274 . . . . 50.0 111.587 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -75.28 -29.1 60.01 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.675 0.62 . . . . 50.0 112.675 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -107.87 -24.74 11.53 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.954 0.724 . . . . 50.0 112.954 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 53.5 t -78.98 126.85 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 109.738 -0.467 . . . . 50.0 109.738 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.527 ' HG1' ' HB2' ' A' ' 598' ' ' ASP . 73.3 p -111.16 -175.42 2.7 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.387 -0.824 . . . . 25.0 111.757 -174.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -73.12 -17.34 61.41 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.461 -0.79 . . . . 75.0 110.036 169.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . 0.527 ' HB2' ' HG1' ' A' ' 596' ' ' THR . 97.9 m-20 -84.48 -31.15 24.69 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.862 -0.608 . . . . 50.0 111.523 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 7.8 mt -66.52 -49.25 67.15 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 117.752 0.251 . . . . 75.0 111.302 173.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 81.3 mtp85 -54.43 -25.56 25.58 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 112.558 0.577 . . . . 75.0 112.558 -176.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 86.1 p -84.89 -35.07 22.42 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.996 -0.547 . . . . 75.0 111.621 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -77.33 -25.57 51.27 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.84 0.456 . . . . 50.0 111.335 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 47.8 mt -69.72 -31.62 69.72 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.787 0.835 . . . . 50.0 110.892 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.493 ' HA ' HD11 ' A' ' 607' ' ' LEU . 96.7 t -83.12 -27.23 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.38 1.072 . . . . 50.0 110.276 175.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -78.56 -16.91 56.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.069 -0.514 . . . . 50.0 109.859 171.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -81.37 -26.63 35.36 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.272 -0.876 . . . . 75.0 108.813 174.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.64 HD13 ' HB1' ' A' ' 632' ' ' ALA . 0.5 OUTLIER -78.06 -57.88 3.56 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 113.896 -1.502 . . . . 50.0 110.746 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 71.2 t -61.15 -24.85 34.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 C-N-CA 123.683 0.793 . . . . 50.0 111.631 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -83.76 -36.17 23.81 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.686 0.395 . . . . 75.0 110.45 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -74.75 -23.31 58.53 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.082 -0.508 . . . . 25.0 111.775 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.495 HG12 HD12 ' A' ' 660' ' ' ILE . 80.4 mt -87.44 -54.25 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 116.066 -0.515 . . . . 75.0 109.964 178.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.538 ' CD2' HD12 ' B' ' 545' ' ' LEU . 87.9 t80 -139.69 116.11 8.26 Favored Pre-proline 0 CA--C 1.548 0.896 0 O-C-N 123.217 0.323 . . . . 50.0 110.469 176.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -62.3 138.1 69.65 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.405 2.07 . . . . 50.0 112.335 173.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 37.0 m -92.35 114.4 62.17 Favored Pre-proline 0 CA--C 1.534 0.357 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -174.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -63.97 -56.36 0.49 Allowed 'Trans proline' 0 C--N 1.368 1.563 0 C-N-CA 123.444 2.763 . . . . 75.0 112.757 167.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -127.11 140.36 37.63 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 115.295 -0.866 . . . . 75.0 111.515 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -59.84 -13.3 21.82 Favored 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 123.966 3.111 . . . . 50.0 114.292 174.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -85.79 -19.91 30.01 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.346 0.499 . . . . 25.0 112.346 -178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -67.03 -9.44 39.12 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.794 0.664 . . . . 25.0 112.794 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 97.0 mt -86.48 0.51 54.08 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.225 0.454 . . . . 75.0 112.225 -175.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -103.12 14.76 31.05 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.154 0.502 . . . . 75.0 110.494 -177.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -84.08 149.87 25.94 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.606 -0.724 . . . . 75.0 111.028 -177.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -75.13 -46.19 35.99 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.069 -0.969 . . . . 75.0 111.675 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -65.21 -19.57 66.03 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.685 0.624 . . . . 50.0 112.685 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 10.0 ttt -86.82 -41.43 14.07 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.732 0.271 . . . . 75.0 111.732 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -57.48 -20.01 28.17 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.409 0.892 . . . . 50.0 113.409 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -69.47 -33.91 73.58 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.232 0.456 . . . . 50.0 112.232 178.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.537 ' O ' ' HB2' ' A' ' 631' ' ' TYR . 31.9 mt -86.77 -30.08 21.85 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 110.52 -0.178 . . . . 50.0 110.52 176.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 65.0 t -53.92 -40.59 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 N-CA-C 109.55 -0.537 . . . . 50.0 109.55 171.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -70.99 -19.76 62.5 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.896 -1.047 . . . . 25.0 111.692 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . 0.537 ' HB2' ' O ' ' A' ' 628' ' ' LEU . 16.9 m-30 -75.97 -31.58 59.08 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.888 -0.597 . . . . 75.0 110.527 171.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . 0.64 ' HB1' HD13 ' A' ' 607' ' ' LEU . . . -84.05 -32.28 24.93 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.282 -0.417 . . . . 25.0 111.706 177.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.67 -25.17 67.83 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 120.944 0.402 . . . . 75.0 111.18 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -85.35 -36.61 20.65 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.378 -0.828 . . . . 75.0 111.718 -176.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.544 ' O ' ' HG3' ' A' ' 639' ' ' MET . 34.0 m -76.7 -25.96 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 112.075 0.398 . . . . 50.0 112.075 -175.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -81.78 -35.17 29.88 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.711 0.404 . . . . 75.0 111.372 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -84.33 -19.82 59.86 Favored Glycine 0 C--N 1.343 0.937 0 O-C-N 123.249 0.343 . . . . 50.0 113.584 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -87.52 -19.07 28.42 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.564 0.345 . . . . 50.0 111.302 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.649 ' SD ' ' HG ' ' A' ' 653' ' ' LEU . 65.1 mtt -78.61 -20.9 49.36 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.52 0.563 . . . . 75.0 112.52 -177.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 640' ' ' TYR . 0.0 OUTLIER -73.44 -25.43 60.51 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.767 0.427 . . . . 50.0 111.068 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.53 -24.0 23.03 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.075 -0.511 . . . . 75.0 111.831 178.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 87.1 p -95.78 -33.42 12.28 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.442 -0.345 . . . . 75.0 111.928 -176.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -91.13 146.0 24.21 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.192 0.307 . . . . 25.0 111.499 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -107.09 -18.26 13.95 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.038 -0.528 . . . . 50.0 111.162 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 80.1 p -131.98 161.48 33.03 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.407 -0.36 . . . . 75.0 110.717 -176.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 52.1 ptt85 -73.03 -22.17 60.68 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.862 -0.608 . . . . 75.0 111.727 -177.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -81.06 -27.75 35.59 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.276 0.36 . . . . 75.0 111.246 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -85.67 -41.69 14.95 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.623 0.369 . . . . 75.0 110.078 176.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -56.12 -48.79 75.52 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.374 0.669 . . . . 75.0 111.349 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -74.61 -16.81 60.78 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.888 0.699 . . . . 75.0 112.888 177.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -84.71 -37.52 20.83 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.171 0.188 . . . . 50.0 111.293 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.28 -41.29 93.01 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.609 0.764 . . . . 50.0 112.384 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.649 ' HG ' ' SD ' ' A' ' 639' ' ' MET . 0.3 OUTLIER -71.92 -33.19 68.09 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.135 -0.484 . . . . 75.0 112.293 175.042 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.39 -29.72 57.23 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -77.32 -25.23 51.0 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.232 0.456 . . . . 75.0 112.232 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -72.07 -31.18 65.87 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 109.144 -0.687 . . . . 75.0 109.144 169.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 7.8 mt -67.04 -36.26 76.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 114.647 -1.161 . . . . 50.0 111.21 -177.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . 0.418 ' O ' ' HB2' ' A' ' 661' ' ' GLN . 21.1 m-30 -81.12 -28.67 35.06 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.538 0.524 . . . . 75.0 111.267 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -76.55 -22.0 54.92 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 116.317 -0.401 . . . . 75.0 111.161 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.495 HD12 HG12 ' A' ' 611' ' ' ILE . 63.8 mt -81.56 -22.52 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 108.581 -0.896 . . . . 50.0 108.581 173.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 658' ' ' TYR . 71.7 mt-30 -72.92 -38.0 67.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.089 -0.96 . . . . 75.0 112.274 176.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -64.15 -40.1 95.42 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.396 -0.82 . . . . 75.0 112.749 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -70.22 -40.79 74.31 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.494 0.553 . . . . 50.0 112.494 -175.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 99.7 mt -64.3 -18.58 64.74 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 113.017 0.747 . . . . 50.0 113.017 173.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -74.17 -16.88 60.97 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.238 0.829 . . . . 50.0 113.238 -176.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -71.19 -26.08 62.8 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 111.94 0.348 . . . . 75.0 111.94 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -84.57 -17.97 37.1 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.266 -0.425 . . . . 75.0 111.162 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -79.99 -22.5 42.45 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.734 -0.667 . . . . 75.0 111.316 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -91.17 -12.21 36.07 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.361 -0.381 . . . . 75.0 111.803 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 92.8 p -94.35 -27.13 16.25 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.258 0.466 . . . . 75.0 112.258 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -97.95 -13.13 21.33 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.224 0.327 . . . . 75.0 111.555 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 117.981 -1.009 . . . . 75.0 110.732 179.447 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.455 -0.258 . . . . 25.0 112.455 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 27.8 t -118.53 105.34 46.22 Favored Pre-proline 0 CA--C 1.544 0.729 0 O-C-N 123.613 0.243 . . . . 50.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -62.33 144.33 95.03 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 122.828 2.352 . . . . 50.0 113.245 177.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -161.1 165.48 35.33 Favored Glycine 0 C--N 1.338 0.648 0 CA-C-N 115.915 -0.584 . . . . 50.0 112.801 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -112.26 108.66 54.71 Favored Pre-proline 0 CA--C 1.544 0.728 0 CA-C-O 119.513 -0.279 . . . . 50.0 111.045 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -69.69 118.34 5.62 Favored 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.448 2.099 . . . . 75.0 112.789 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -131.13 -41.56 1.11 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.825 -0.625 . . . . 50.0 110.386 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -171.49 72.31 0.11 Allowed Glycine 0 C--N 1.339 0.724 0 CA-C-N 116.012 -0.54 . . . . 50.0 112.007 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 96.3 mt -110.47 -53.43 2.69 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.261 0.553 . . . . 75.0 110.714 -176.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 95.8 mt -95.33 -8.65 35.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.547 -1.206 . . . . 50.0 111.123 -177.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 94.5 p -132.88 25.36 4.31 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 115.74 -0.664 . . . . 50.0 111.564 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -114.72 -97.71 2.19 Favored Glycine 0 C--N 1.341 0.811 0 C-N-CA 121.243 -0.504 . . . . 75.0 112.565 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -138.24 -1.5 1.92 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 122.626 0.37 . . . . 75.0 111.483 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -96.62 -4.38 41.16 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.041 0.536 . . . . 75.0 112.348 -177.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.5 -36.16 57.94 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.13 -0.941 . . . . 75.0 111.246 -178.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -88.94 -11.78 43.46 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.253 0.345 . . . . 50.0 110.882 176.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 41.2 p -69.59 -18.69 63.64 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.017 -0.538 . . . . 75.0 111.508 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.6 p -89.35 -29.13 19.34 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.924 -0.58 . . . . 75.0 111.33 177.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . 0.469 HG22 HD21 ' A' ' 628' ' ' LEU . 80.2 mt -86.57 -29.94 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 115.671 -0.695 . . . . 50.0 111.465 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.77 -11.3 59.06 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.018 0.747 . . . . 50.0 113.018 -176.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -100.58 -11.03 20.41 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.674 -0.694 . . . . 75.0 109.855 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 81.0 mmm -93.72 -28.66 15.81 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.307 -0.86 . . . . 50.0 110.745 173.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -91.64 -19.53 22.59 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.595 -0.729 . . . . 50.0 111.731 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -74.93 -27.25 60.13 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.474 0.178 . . . . 75.0 111.136 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 84.6 p -81.7 -24.21 36.33 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.833 0.453 . . . . 50.0 111.386 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -79.94 -28.37 39.69 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.325 0.391 . . . . 25.0 111.398 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.538 HD12 ' CD2' ' A' ' 612' ' ' PHE . 96.0 mt -84.23 -20.64 31.94 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.811 -0.631 . . . . 50.0 111.153 174.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' B' ' 546' ' ' LEU . 9.3 mt -76.78 -28.66 55.75 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.643 -0.708 . . . . 75.0 110.712 177.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.5 p -76.59 -15.75 59.76 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.573 -0.739 . . . . 50.0 111.991 175.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -71.95 -14.34 61.89 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.083 0.771 . . . . 75.0 113.083 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 42.9 pt -104.93 -27.92 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 112.21 0.448 . . . . 50.0 112.21 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 91.4 p -96.17 -35.54 11.27 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.556 -0.293 . . . . 50.0 111.726 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 59.7 p . . . . . 0 C--O 1.249 1.068 0 CA-C-O 117.995 -1.002 . . . . 50.0 110.903 179.832 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.512 -0.235 . . . . 25.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 63.6 t -90.36 136.18 24.57 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-O 120.912 0.387 . . . . 75.0 111.164 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -92.55 145.63 24.29 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.527 -0.76 . . . . 50.0 111.312 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -117.22 171.14 8.15 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.826 -0.625 . . . . 75.0 110.524 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -77.64 -17.44 78.9 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 115.766 -0.652 . . . . 50.0 114.687 -174.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . 0.404 ' O ' HG23 ' A' ' 595' ' ' VAL . 46.2 p-90 -63.41 -35.19 79.58 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.168 0.803 . . . . 50.0 113.168 -177.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -13.13 61.55 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.075 0.234 . . . . 50.0 111.555 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -83.33 -24.69 32.0 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.128 0.418 . . . . 75.0 112.128 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -112.29 -24.36 9.85 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.925 0.713 . . . . 50.0 112.925 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 591' ' ' TRP . 89.9 t -79.07 124.02 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 109.706 -0.479 . . . . 50.0 109.706 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 70.3 p -113.61 -174.06 2.39 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.222 -0.899 . . . . 25.0 111.74 -177.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -74.95 -17.81 60.49 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.417 -0.81 . . . . 50.0 110.05 169.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -84.0 -36.59 23.04 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.547 -0.751 . . . . 50.0 111.466 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.99 -41.43 97.51 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.951 0.352 . . . . 75.0 111.951 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -64.25 -23.85 67.46 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 112.174 0.435 . . . . 75.0 112.174 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 86.2 p -84.46 -35.03 23.3 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.228 -0.442 . . . . 75.0 111.746 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -75.49 -34.2 60.84 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.787 0.435 . . . . 50.0 110.969 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.38 -25.54 66.01 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.314 0.646 . . . . 75.0 112.653 171.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 11.6 t -83.09 -27.84 7.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 115.756 -0.656 . . . . 50.0 110.171 172.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -78.13 -16.64 57.76 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.144 -0.48 . . . . 50.0 110.027 171.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -82.78 -29.67 29.46 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.038 -0.983 . . . . 75.0 108.762 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 23.1 tp -88.1 -38.74 15.15 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 113.114 -1.857 . . . . 75.0 111.905 -175.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 34.5 t -74.88 -22.08 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.26 0.624 . . . . 50.0 111.319 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -82.32 -25.89 33.51 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.663 0.268 . . . . 75.0 111.213 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -79.59 -22.42 43.76 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.743 -0.662 . . . . 25.0 111.47 174.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 87.3 mt -88.02 -59.44 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 109.745 -0.465 . . . . 75.0 109.745 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.471 ' CG ' HD11 ' B' ' 545' ' ' LEU . 80.1 t80 -139.64 102.39 7.15 Favored Pre-proline 0 CA--C 1.547 0.843 0 O-C-N 123.271 0.357 . . . . 50.0 110.442 176.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -82.55 140.83 10.81 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 122.183 1.922 . . . . 50.0 112.712 173.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.0 t -155.04 128.6 4.45 Favored Pre-proline 0 CA--C 1.544 0.745 0 CA-C-N 116.203 -0.453 . . . . 25.0 112.196 -177.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -50.48 -54.9 4.68 Favored 'Trans proline' 0 C--N 1.372 1.781 0 C-N-CA 124.074 3.182 . . . . 75.0 114.312 172.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -72.14 117.08 55.21 Favored Pre-proline 0 N--CA 1.473 0.688 0 CA-C-N 115.588 -0.733 . . . . 50.0 112.477 -176.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.4 -10.32 25.64 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.764 2.31 . . . . 50.0 113.989 173.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.31 -11.91 60.16 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.903 0.705 . . . . 25.0 112.903 -176.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.54 -16.08 46.85 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.007 0.373 . . . . 25.0 112.007 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.89 -1.92 57.76 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.115 -0.493 . . . . 75.0 112.04 -176.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -107.73 14.51 25.49 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.105 0.479 . . . . 75.0 110.491 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -82.72 162.7 21.69 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.854 -0.612 . . . . 75.0 110.869 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -78.39 -42.46 30.2 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.879 -0.6 . . . . 75.0 110.853 -176.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -74.21 -21.02 59.98 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 114.944 -1.025 . . . . 75.0 111.639 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 3.0 tpp -88.1 -37.26 16.38 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.388 -0.369 . . . . 75.0 111.05 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -56.86 -20.43 22.86 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 123.286 0.634 . . . . 75.0 112.364 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -69.56 -37.32 76.98 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.31 0.485 . . . . 50.0 112.31 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 23.2 mt -86.73 -28.4 23.09 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 121.271 -0.172 . . . . 50.0 110.761 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 54.5 t -56.88 -34.4 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 122.924 0.489 . . . . 50.0 109.858 171.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -83.46 -18.82 37.3 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.935 -1.03 . . . . 25.0 111.309 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . 0.649 ' HE2' ' CD2' ' B' ' 534' ' ' PHE . 37.8 t80 -78.3 -35.68 47.5 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.528 -0.76 . . . . 75.0 110.383 174.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -83.2 -32.01 26.77 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.117 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -69.42 -19.3 63.79 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.721 -0.672 . . . . 75.0 110.631 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.83 -41.59 20.85 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.284 -0.871 . . . . 75.0 111.218 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 77.2 t -71.44 -43.84 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.02 0.378 . . . . 50.0 112.02 -174.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 1.011 ' HA ' ' HE3' ' A' ' 639' ' ' MET . 1.9 pp20? -54.01 -30.32 47.01 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.692 0.797 . . . . 50.0 112.197 -177.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . 0.43 ' O ' ' HD2' ' A' ' 640' ' ' TYR . . . -80.67 -19.62 67.83 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 116.308 -0.405 . . . . 50.0 113.419 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -85.45 -19.16 31.7 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.592 0.357 . . . . 75.0 111.802 178.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 1.011 ' HE3' ' HA ' ' A' ' 636' ' ' GLU . 68.3 mtm -70.87 -22.47 62.28 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.35 0.5 . . . . 75.0 112.35 177.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.43 ' HD2' ' O ' ' A' ' 637' ' ' GLY . 0.0 OUTLIER -81.06 -29.85 34.91 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 116.492 -0.322 . . . . 50.0 111.14 -178.419 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -88.5 -21.71 24.02 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.267 -0.424 . . . . 75.0 111.818 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 78.2 p -94.65 -34.03 12.75 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.271 0.357 . . . . 75.0 111.871 -177.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -102.1 146.02 28.52 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.23 0.331 . . . . 25.0 111.726 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -114.03 -5.96 13.13 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.77 -0.65 . . . . 75.0 111.572 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 94.4 p -132.17 153.64 50.34 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.193 -0.458 . . . . 75.0 110.66 -177.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.547 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 0.2 OUTLIER -70.25 -24.35 63.06 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.211 0.819 . . . . 50.0 113.211 -175.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 95.6 m-20 -81.47 -28.65 34.03 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 111.855 0.317 . . . . 50.0 111.855 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -86.02 -35.93 20.05 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.279 0.362 . . . . 75.0 110.382 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -60.36 -53.21 60.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.241 0.616 . . . . 75.0 111.036 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 646' ' ' ARG . 30.3 m-85 -71.49 -16.28 62.35 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 112.823 0.675 . . . . 75.0 112.823 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 0.2 OUTLIER -84.83 -24.64 28.54 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.827 0.306 . . . . 50.0 111.827 -178.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 60.4 mt -73.89 -35.12 64.64 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.589 0.356 . . . . 75.0 111.903 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.653 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.9 OUTLIER -78.59 -30.61 46.77 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.148 -0.478 . . . . 75.0 111.729 174.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -78.58 -26.18 45.46 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.12 0.415 . . . . 25.0 112.12 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -78.25 -29.14 47.98 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 111.858 0.318 . . . . 75.0 111.858 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -70.51 -30.93 67.83 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.154 -0.684 . . . . 75.0 109.154 171.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 10.8 mt -68.6 -28.14 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 114.894 -1.048 . . . . 50.0 110.977 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -84.84 -32.89 23.02 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.3 -0.409 . . . . 75.0 110.785 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.59 ' HG2' ' HB3' ' B' ' 531' ' ' ASP . 56.7 tptt -75.88 -34.58 60.0 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.862 0.465 . . . . 75.0 112.156 -178.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 59.0 mt -68.33 -32.23 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-O 121.048 0.451 . . . . 50.0 109.79 175.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -75.64 -19.26 59.31 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.1 -0.954 . . . . 50.0 112.139 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -80.5 -41.35 24.43 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.567 0.347 . . . . 75.0 111.909 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -71.22 -42.39 69.0 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 122.878 0.471 . . . . 75.0 111.763 -176.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.48 -18.83 62.27 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.533 -0.758 . . . . 75.0 112.552 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.31 -32.4 73.78 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.723 0.409 . . . . 75.0 111.14 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -76.12 -22.91 54.97 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.541 0.336 . . . . 50.0 110.997 174.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -86.47 -17.22 34.75 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 115.591 -0.732 . . . . 75.0 110.793 174.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -84.91 -53.12 5.52 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.45 -176.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 47.1 mtm105 -92.21 -46.72 7.59 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.176 0.436 . . . . 75.0 112.176 -178.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.95 -21.84 24.66 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.31 0.485 . . . . 75.0 112.31 -176.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 69.35 -0.86 2.38 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.387 1.075 . . . . 75.0 112.521 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.02 -0.99 . . . . 50.0 110.807 178.048 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 112.462 -0.255 . . . . 25.0 112.462 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 41.5 t -103.99 130.19 23.86 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 122.304 0.242 . . . . 50.0 110.692 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -72.53 -19.14 25.13 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.535 2.157 . . . . 75.0 113.869 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 146.73 160.66 8.9 Favored Glycine 0 C--N 1.338 0.68 0 O-C-N 123.418 0.449 . . . . 50.0 112.585 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -106.15 129.89 23.83 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 122.296 0.238 . . . . 50.0 111.154 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -72.19 143.83 40.61 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.272 1.982 . . . . 75.0 113.185 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -107.99 134.69 50.54 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.813 -0.63 . . . . 50.0 110.445 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 129.36 51.22 0.12 Allowed Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.787 -0.642 . . . . 50.0 112.642 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 2.5 tt 60.87 118.05 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.316 1.046 . . . . 75.0 111.638 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 98.0 mt -119.58 -4.16 10.33 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.565 -0.743 . . . . 50.0 110.408 175.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 90.4 p -163.94 -42.39 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.682 -0.69 . . . . 50.0 110.993 -178.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 145.77 70.48 0.02 OUTLIER Glycine 0 C--N 1.341 0.842 0 CA-C-N 116.045 -0.525 . . . . 50.0 112.582 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . 0.59 ' HB3' ' HG2' ' A' ' 659' ' ' LYS . 54.3 m-20 -124.52 -2.68 7.92 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.89 0.376 . . . . 75.0 111.038 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -99.66 -4.04 31.76 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.519 -0.764 . . . . 75.0 112.488 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . 0.55 ' HB3' ' HH ' ' A' ' 631' ' ' TYR . 90.0 m-20 -90.18 -20.93 22.48 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.219 -0.9 . . . . 75.0 111.407 -176.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . 0.649 ' CD2' ' HE2' ' A' ' 631' ' ' TYR . 95.4 m-85 -86.39 -15.02 41.71 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 123.136 0.272 . . . . 50.0 111.618 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 83.8 p -80.77 -26.56 37.16 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.182 -0.463 . . . . 75.0 111.733 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 65.8 p -90.33 -47.13 7.95 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.04 -0.527 . . . . 75.0 112.022 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 17.4 mt -86.62 -41.19 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.132 0.419 . . . . 75.0 112.132 -172.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' B' ' 534' ' ' PHE . . . -79.57 -10.64 59.83 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 112.743 0.646 . . . . 75.0 112.743 -174.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -100.2 -12.59 19.44 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.302 -0.863 . . . . 75.0 109.792 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 71.6 mtp -90.87 -27.37 18.84 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.854 -0.612 . . . . 50.0 111.169 171.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -89.85 -19.68 24.34 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.749 -0.659 . . . . 50.0 111.643 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -73.96 -24.4 59.63 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 111.646 0.239 . . . . 75.0 111.646 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.8 p -81.47 -23.57 37.34 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.423 -0.353 . . . . 50.0 111.806 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . 0.43 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.08 -22.91 31.03 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.14 0.422 . . . . 25.0 112.14 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 612' ' ' PHE . 46.1 mt -82.44 -14.75 54.59 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.411 0.522 . . . . 50.0 112.411 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 71.5 mt -80.94 -33.03 34.28 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.001 0.429 . . . . 50.0 110.716 176.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.6 p -76.5 -15.96 59.76 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.226 -0.897 . . . . 75.0 112.228 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 25.0 mm100 -73.5 -12.5 60.81 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.07 0.767 . . . . 75.0 113.07 -176.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 41.0 pt -104.66 -8.47 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 112.314 0.487 . . . . 75.0 112.314 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 67.2 p -99.35 -36.2 9.68 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.383 -0.371 . . . . 50.0 111.214 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 40.2 t . . . . . 0 C--O 1.253 1.26 0 CA-C-O 118.744 -0.646 . . . . 50.0 110.984 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 112.419 -0.272 . . . . 25.0 112.419 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 57.0 t -90.36 138.66 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 109.938 -0.393 . . . . 75.0 109.938 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -92.68 122.8 35.45 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.858 -0.61 . . . . 50.0 110.755 -175.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.62 ' CD ' ' HE1' ' A' ' 591' ' ' TRP . 98.2 mttt -141.3 156.8 45.82 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.665 -0.698 . . . . 75.0 111.259 -176.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -80.12 -20.54 67.22 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 115.349 -0.841 . . . . 50.0 113.935 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . 0.62 ' HE1' ' CD ' ' A' ' 589' ' ' LYS . 8.7 p-90 -85.06 -36.39 21.25 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.996 0.398 . . . . 50.0 111.394 177.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.918 ' HD1' ' HH ' ' A' ' 640' ' ' TYR . 13.8 t60 -65.67 -34.96 79.42 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.249 0.62 . . . . 50.0 111.568 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -86.17 -18.97 30.81 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.333 0.396 . . . . 50.0 111.583 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -88.61 -26.45 21.9 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.802 -0.636 . . . . 75.0 111.121 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 31.2 t -85.89 132.2 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 109.677 -0.49 . . . . 50.0 109.677 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 53.3 p -108.59 -176.18 2.97 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.874 -0.603 . . . . 25.0 112.073 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -79.51 -18.1 52.65 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.235 -0.893 . . . . 50.0 110.146 171.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -82.49 -26.54 32.48 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-N 115.571 -0.74 . . . . 75.0 111.598 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 44.4 tp -65.71 -50.57 64.38 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 122.877 0.11 . . . . 75.0 111.242 172.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -57.77 -23.35 51.77 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.746 0.646 . . . . 75.0 112.746 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.8 p -84.24 -32.61 24.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.331 -0.395 . . . . 75.0 111.342 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -79.55 -23.28 42.94 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.891 0.476 . . . . 50.0 110.736 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -32.54 64.95 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.901 0.88 . . . . 50.0 110.367 174.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 40.8 t -83.33 -34.38 10.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-N 114.827 -1.079 . . . . 50.0 110.666 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -72.24 -17.77 61.88 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.377 0.423 . . . . 50.0 110.521 176.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -85.76 -22.4 27.75 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.554 -0.748 . . . . 75.0 109.422 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.466 HD23 HD12 ' A' ' 653' ' ' LEU . 2.4 tp -86.05 -37.93 18.38 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 114.449 -1.25 . . . . 75.0 111.254 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 40.6 t -70.23 -25.25 27.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 C-N-CA 123.493 0.717 . . . . 50.0 111.372 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -79.66 -36.59 37.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.062 0.458 . . . . 75.0 110.543 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -69.67 -21.9 63.48 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.02 -0.991 . . . . 25.0 112.148 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 76.6 mt -96.96 -59.33 3.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 116.357 -0.383 . . . . 75.0 110.224 178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -144.84 104.14 4.51 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-O 119.578 -0.249 . . . . 50.0 110.794 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.2 133.03 10.66 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 122.391 2.061 . . . . 50.0 112.46 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 14.8 m -143.44 123.82 7.86 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -50.97 -52.85 8.22 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 124.174 3.249 . . . . 75.0 114.297 171.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -80.9 122.42 81.93 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.413 -0.812 . . . . 50.0 112.465 -175.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -64.08 -10.4 23.06 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 123.038 2.492 . . . . 50.0 113.937 172.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -71.7 -28.89 64.01 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.397 0.517 . . . . 25.0 112.397 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -86.06 -15.24 41.93 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.302 -0.408 . . . . 25.0 111.457 176.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 83.0 mt -91.39 -21.98 20.71 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.677 -0.692 . . . . 75.0 110.916 -176.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -104.28 14.9 29.42 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 120.916 0.388 . . . . 75.0 110.918 -178.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -83.86 167.34 17.13 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.999 -0.546 . . . . 75.0 111.592 -175.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 92.5 mtm-85 -61.75 -54.8 37.54 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.215 0.606 . . . . 75.0 112.189 -177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -20.3 65.99 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.27 0.628 . . . . 75.0 112.68 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 37.5 tpp -88.76 -39.64 13.78 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.081 0.238 . . . . 75.0 111.437 -177.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -54.14 -20.4 6.63 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 112.83 0.678 . . . . 75.0 112.83 -177.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -68.48 -36.79 79.45 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.518 0.327 . . . . 50.0 111.63 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.521 HD23 HG23 ' B' ' 537' ' ' ILE . 13.3 mt -86.97 -33.53 19.61 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 123.306 0.379 . . . . 50.0 110.862 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.436 HG11 ' HD2' ' A' ' 633' ' ' LYS . 73.3 t -56.28 -37.31 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 122.738 0.415 . . . . 50.0 110.004 172.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.548 ' HA ' ' HB2' ' A' ' 633' ' ' LYS . . . -80.67 -18.68 47.24 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.974 -1.012 . . . . 25.0 111.348 177.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . 0.919 ' HH ' ' HB3' ' B' ' 533' ' ' ASP . 37.8 t80 -75.13 -35.82 61.65 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.488 -0.778 . . . . 75.0 110.603 175.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . 0.477 ' HA ' HG22 ' A' ' 635' ' ' VAL . . . -84.33 -31.34 24.87 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.964 -0.562 . . . . 25.0 111.056 175.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.548 ' HB2' ' HA ' ' A' ' 630' ' ' ALA . 65.3 mttt -64.96 -19.16 65.83 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.816 -0.629 . . . . 75.0 110.315 171.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 631' ' ' TYR . 62.4 tttm -76.11 -53.79 7.79 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.722 -1.126 . . . . 75.0 111.12 176.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 632' ' ' ALA . 15.8 m -76.16 -23.83 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 115.504 -0.771 . . . . 50.0 112.596 -166.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.532 ' HA ' ' HE3' ' A' ' 639' ' ' MET . 3.0 pp20? -69.75 -34.91 74.45 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.044 0.537 . . . . 50.0 111.081 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -82.23 -20.65 62.2 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 116.169 -0.469 . . . . 50.0 113.617 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -82.08 -18.66 42.27 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.48 0.312 . . . . 75.0 111.551 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.532 ' HE3' ' HA ' ' A' ' 636' ' ' GLU . 26.9 mtm -73.31 -21.04 60.66 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.37 -0.377 . . . . 75.0 111.662 178.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.918 ' HH ' ' HD1' ' A' ' 592' ' ' HIS . 67.9 t80 -75.01 -31.71 61.46 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.317 0.647 . . . . 50.0 111.709 -176.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -88.55 -23.89 23.04 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.203 -0.453 . . . . 75.0 112.007 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 76.5 p -90.37 -36.36 14.67 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.009 0.374 . . . . 50.0 112.009 -176.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.72 156.23 18.23 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.67 0.388 . . . . 25.0 111.928 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -113.02 -18.99 12.06 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.881 -0.599 . . . . 75.0 111.718 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.3 p -132.6 157.7 44.08 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.244 -0.435 . . . . 75.0 110.475 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -73.31 -17.31 61.32 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.728 0.64 . . . . 50.0 112.728 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -80.92 -28.23 35.87 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.316 0.385 . . . . 75.0 110.693 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -86.28 -42.45 13.74 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.271 -0.422 . . . . 75.0 110.294 176.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -56.17 -47.59 77.97 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.975 0.91 . . . . 75.0 111.894 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -69.2 -15.85 63.48 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.147 -0.479 . . . . 75.0 112.219 176.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.24 -24.18 30.12 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.626 0.602 . . . . 50.0 112.626 -174.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.453 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 91.7 mt -72.94 -27.17 61.68 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 118.132 0.424 . . . . 75.0 111.572 176.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.471 HD11 ' HA ' ' A' ' 653' ' ' LEU . 4.0 tp -87.24 -32.84 19.53 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.324 0.39 . . . . 75.0 111.428 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -74.22 -27.14 60.64 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.794 0.437 . . . . 25.0 112.007 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -78.42 -27.8 46.68 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.11 0.256 . . . . 75.0 111.682 177.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.423 ' HD3' ' CZ ' ' B' ' 534' ' ' PHE . 69.0 mttm -71.17 -30.29 66.25 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.434 -0.58 . . . . 75.0 109.434 170.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 23.2 mt -67.95 -28.79 42.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.029 -0.987 . . . . 50.0 111.047 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -84.48 -33.83 23.51 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.266 -0.424 . . . . 75.0 110.728 178.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -76.76 -32.0 57.43 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.515 0.509 . . . . 75.0 112.156 -178.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 53.3 mt -68.72 -31.34 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.619 -0.512 . . . . 50.0 109.619 174.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -74.55 -19.56 60.29 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.304 -0.862 . . . . 50.0 112.296 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -78.66 -40.52 33.87 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.595 0.358 . . . . 75.0 111.412 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -67.42 -42.9 82.46 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.453 0.701 . . . . 75.0 111.931 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -73.94 -18.48 60.88 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.366 0.506 . . . . 50.0 112.366 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -64.79 -20.6 66.46 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 122.988 0.515 . . . . 75.0 112.293 -177.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -80.55 -21.36 41.82 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 120.474 0.178 . . . . 50.0 111.169 175.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -86.08 -18.17 33.14 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.064 -0.516 . . . . 75.0 110.663 174.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -86.35 -23.11 26.33 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.779 -0.646 . . . . 75.0 111.382 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -91.12 -15.03 30.09 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.22 -0.445 . . . . 75.0 111.913 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 95.0 p -84.72 -25.32 28.42 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 122.662 0.385 . . . . 75.0 111.909 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 86.0 mtt85 -124.73 77.66 1.62 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.107 0.479 . . . . 75.0 110.23 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 17.5 tp . . . . . 0 N--CA 1.486 1.333 0 C-N-CA 125.099 1.36 . . . . 75.0 114.367 -178.362 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 112.497 -0.241 . . . . 25.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 18.4 t -108.17 130.35 22.9 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-O 119.481 -0.295 . . . . 50.0 111.126 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.65 142.67 36.42 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.398 2.065 . . . . 75.0 113.349 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -138.25 -103.2 0.6 Allowed Glycine 0 C--N 1.337 0.629 0 CA-C-N 115.782 -0.645 . . . . 50.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -103.65 115.15 64.04 Favored Pre-proline 0 CA--C 1.548 0.893 0 CA-C-O 119.577 -0.249 . . . . 50.0 111.232 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.97 143.67 95.56 Favored 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 122.653 2.235 . . . . 75.0 113.209 177.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -119.0 -36.49 3.4 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.82 -0.627 . . . . 50.0 111.278 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 156.85 -121.85 1.12 Allowed Glycine 0 C--N 1.34 0.802 0 O-C-N 123.391 0.432 . . . . 50.0 112.501 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 84.9 mt -114.41 18.55 16.81 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.823 0.345 . . . . 50.0 111.257 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 16.8 mt -74.39 14.39 0.46 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.539 0.57 . . . . 50.0 112.539 -174.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 74.9 p -136.87 7.91 2.99 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.317 -0.401 . . . . 50.0 111.557 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -101.91 -63.26 0.75 Allowed Glycine 0 C--N 1.342 0.87 0 CA-C-N 116.413 -0.358 . . . . 75.0 113.072 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -113.54 -1.84 14.0 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.963 0.411 . . . . 50.0 111.372 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -102.71 -3.7 26.14 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.393 -0.821 . . . . 75.0 112.496 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . 0.919 ' HB3' ' HH ' ' A' ' 631' ' ' TYR . 11.5 m-20 -87.49 -19.39 28.02 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.541 -0.754 . . . . 75.0 111.535 -175.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . 0.525 ' CD2' ' HE2' ' A' ' 631' ' ' TYR . 96.9 m-85 -87.58 -12.34 45.99 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.787 0.327 . . . . 50.0 111.669 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 86.2 p -82.33 -38.05 24.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.885 -0.598 . . . . 50.0 111.837 -176.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 29.8 m -90.09 -41.9 11.41 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.314 0.487 . . . . 75.0 112.314 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . 0.521 HG23 HD23 ' A' ' 628' ' ' LEU . 78.2 mt -81.67 -38.49 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 111.986 0.365 . . . . 50.0 111.986 -171.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.41 -11.0 59.41 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.774 0.657 . . . . 75.0 112.774 -175.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -101.88 -9.34 20.81 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.513 -0.767 . . . . 75.0 110.137 174.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 73.3 mtp -95.12 -29.02 14.78 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.764 -0.653 . . . . 50.0 111.233 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -90.76 -21.03 21.75 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.796 -0.638 . . . . 50.0 111.506 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -71.97 -24.64 61.63 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 111.86 0.319 . . . . 75.0 111.86 -176.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 79.9 p -81.51 -37.35 28.0 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.046 0.387 . . . . 50.0 112.046 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.0 -21.88 31.55 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.235 -0.438 . . . . 25.0 111.66 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 39.8 mt -84.37 -14.94 48.11 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.71 -0.677 . . . . 75.0 111.643 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 56.7 mt -82.0 -28.27 32.68 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 121.256 0.55 . . . . 50.0 110.108 168.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 6.1 p -71.84 -16.08 62.15 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.618 -1.173 . . . . 50.0 112.595 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -79.06 -11.51 60.0 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.08 0.4 . . . . 75.0 112.08 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 94.2 mt -97.06 -32.58 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 116.069 -0.514 . . . . 50.0 110.289 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 66.3 p -94.67 -32.79 13.22 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.379 -0.373 . . . . 50.0 111.612 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 N--CA 1.483 1.221 0 C-N-CA 124.131 0.973 . . . . 50.0 111.983 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.551 -0.22 . . . . 25.0 112.551 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 95.1 t -90.3 143.21 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 109.921 -0.399 . . . . 75.0 109.921 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -92.17 124.15 36.04 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.028 -0.533 . . . . 50.0 110.656 -176.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -127.44 132.2 50.1 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.13 -0.487 . . . . 75.0 111.146 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -80.37 -21.89 63.77 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-N 115.813 -0.63 . . . . 50.0 113.633 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -84.31 -24.75 29.69 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.76 0.424 . . . . 50.0 112.026 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -74.7 -13.25 60.59 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 116.251 -0.432 . . . . 50.0 111.266 175.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -83.72 -30.46 26.69 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.375 0.509 . . . . 75.0 112.375 -177.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -103.47 -22.64 13.61 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.879 0.696 . . . . 50.0 112.879 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 77.7 t -81.16 128.37 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 120.834 0.349 . . . . 50.0 110.105 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.481 ' HG1' ' H ' ' A' ' 598' ' ' ASP . 53.3 p -111.13 -175.13 2.63 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.536 -0.757 . . . . 25.0 111.546 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -69.6 -18.81 63.65 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.393 -0.821 . . . . 75.0 110.381 168.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . 0.481 ' H ' ' HG1' ' A' ' 596' ' ' THR . 73.6 m-20 -82.49 -37.5 25.23 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 115.829 -0.623 . . . . 75.0 112.299 -177.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.31 -47.54 85.58 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 111.967 0.358 . . . . 75.0 111.967 175.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -60.36 -30.01 69.29 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.972 0.509 . . . . 75.0 111.782 -175.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.7 p -76.97 -27.3 54.71 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.524 -0.762 . . . . 75.0 111.548 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 605' ' ' HIS . 61.5 m170 -85.92 -21.4 27.97 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.663 0.385 . . . . 50.0 110.575 176.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 60.9 mt -76.29 -34.47 59.08 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.69 -0.686 . . . . 75.0 109.695 172.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 39.7 t -73.7 -35.01 42.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 115.134 -0.939 . . . . 50.0 110.819 172.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 602' ' ' HIS . 2.8 m-70 -74.47 -17.19 60.81 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.407 0.283 . . . . 50.0 110.919 177.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -85.18 -25.52 27.34 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.985 0.898 . . . . 75.0 109.017 174.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.8 mt -86.54 -43.63 12.57 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 113.328 -1.76 . . . . 75.0 111.322 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 78.7 t -70.4 -25.6 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.614 0.766 . . . . 50.0 111.35 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -84.82 -29.14 25.62 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.519 0.2 . . . . 75.0 111.333 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -71.39 -33.67 69.7 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.044 173.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.48 HG12 HG23 ' A' ' 660' ' ' ILE . 97.0 mt -76.54 -52.37 17.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 115.801 -0.636 . . . . 75.0 109.34 174.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -143.95 116.03 5.64 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 116.37 -0.377 . . . . 75.0 110.661 172.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.11 125.36 11.87 Favored 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.214 1.942 . . . . 75.0 112.375 175.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 77.0 p -100.48 113.52 65.51 Favored Pre-proline 0 CA--C 1.535 0.369 0 N-CA-C 112.899 0.703 . . . . 25.0 112.899 -175.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -62.24 -51.93 3.11 Favored 'Trans proline' 0 C--N 1.368 1.587 0 C-N-CA 123.4 2.733 . . . . 75.0 112.493 166.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -106.42 123.13 39.81 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 114.726 -1.124 . . . . 50.0 111.441 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -61.6 -10.14 15.66 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 123.043 2.495 . . . . 50.0 113.966 173.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.12 -8.14 56.99 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.631 0.604 . . . . 25.0 112.631 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -80.48 -9.25 59.77 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.054 0.391 . . . . 25.0 112.054 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 81.4 mt -84.74 0.4 50.69 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.14 -0.482 . . . . 75.0 111.996 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -105.5 14.44 28.62 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 121.031 0.443 . . . . 75.0 110.564 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -89.42 157.15 18.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.853 -0.612 . . . . 75.0 110.843 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 14.9 mmp_? -79.4 -38.43 34.86 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.484 -0.78 . . . . 75.0 110.855 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 -69.7 -27.27 64.86 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.954 -1.021 . . . . 50.0 112.421 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 54.3 ttm -90.03 -37.48 14.27 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 123.283 0.364 . . . . 75.0 111.485 -177.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -56.09 -21.55 22.78 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.308 0.643 . . . . 75.0 112.679 -177.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -73.21 -34.53 65.98 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.081 0.4 . . . . 50.0 112.081 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 94.5 mt -86.29 -31.56 21.55 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 123.14 0.275 . . . . 50.0 110.44 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.6 -34.51 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.062 0.545 . . . . 50.0 110.292 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -78.8 -18.88 53.38 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.213 -0.903 . . . . 25.0 111.795 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -78.68 -37.6 41.36 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.11 -0.495 . . . . 75.0 110.138 172.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -79.22 -33.64 43.54 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.519 0.512 . . . . 25.0 111.845 -177.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -64.99 -30.42 71.41 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.208 0.603 . . . . 75.0 111.689 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.407 ' HE3' ' OD2' ' A' ' 638' ' ' ASP . 47.4 tptt -82.95 -31.4 27.69 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.412 -0.813 . . . . 75.0 110.245 174.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.454 ' O ' ' HE1' ' A' ' 639' ' ' MET . 1.2 t -73.15 -21.26 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 115.027 -0.988 . . . . 75.0 112.505 -173.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.417 ' OE2' ' OH ' ' A' ' 649' ' ' TYR . 10.2 tp10 -82.31 -30.77 30.31 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 122.437 0.295 . . . . 50.0 110.726 176.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -81.25 -27.76 47.46 Favored Glycine 0 C--N 1.346 1.097 0 N-CA-C 114.506 0.562 . . . . 50.0 114.506 -173.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . 0.407 ' OD2' ' HE3' ' A' ' 634' ' ' LYS . 97.1 m-20 -72.89 -18.85 61.38 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 117.003 0.402 . . . . 75.0 112.015 179.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.547 ' HE3' ' HA ' ' A' ' 653' ' ' LEU . 61.4 mtt -75.73 -20.52 58.28 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.945 -0.571 . . . . 75.0 112.467 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 641' ' ' GLU . 0.0 OUTLIER -74.51 -28.91 61.2 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.552 -177.626 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 640' ' ' TYR . 92.9 mt-10 -88.9 -21.81 23.44 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.165 -0.47 . . . . 75.0 112.029 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 34.7 m -92.47 -45.33 8.2 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.27 0.47 . . . . 50.0 112.27 -175.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -83.09 147.98 27.79 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.805 0.298 . . . . 25.0 111.805 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -105.74 -17.77 14.28 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.896 -0.593 . . . . 50.0 111.468 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 645' ' ' SER . . . . . 0.46 ' HG ' ' HB2' ' A' ' 648' ' ' GLU . 79.8 p -131.76 163.33 28.44 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.666 0.27 . . . . 50.0 110.917 -176.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -72.92 -29.47 63.14 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.818 -0.628 . . . . 50.0 111.962 -175.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -81.37 -23.97 37.33 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.511 0.324 . . . . 50.0 111.871 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.46 ' HB2' ' HG ' ' A' ' 645' ' ' SER . 97.9 mt-10 -85.56 -38.8 18.09 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.819 -0.437 . . . . 75.0 109.819 176.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . 0.458 ' HD2' ' CE2' ' A' ' 650' ' ' TYR . 71.4 t80 -55.26 -49.2 72.64 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.808 0.843 . . . . 75.0 111.78 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.458 ' CE2' ' HD2' ' A' ' 649' ' ' TYR . 21.2 m-30 -68.96 -15.92 63.61 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.66 0.615 . . . . 75.0 112.66 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.2 -24.75 34.76 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.687 0.625 . . . . 50.0 112.687 -174.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 95.0 mt -71.84 -31.67 66.74 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.006 0.372 . . . . 75.0 112.006 176.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.547 ' HA ' ' HE3' ' A' ' 639' ' ' MET . 0.3 OUTLIER -86.08 -31.25 22.01 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.439 0.296 . . . . 75.0 111.639 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 653' ' ' LEU . . . -72.35 -28.65 63.18 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.716 0.406 . . . . 25.0 111.957 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 659' ' ' LYS . 95.7 mt-10 -78.81 -26.0 44.24 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.057 0.391 . . . . 75.0 112.057 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -74.03 -29.48 61.95 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 109.326 -0.62 . . . . 75.0 109.326 169.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 7.8 mt -68.84 -38.93 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.61 -0.723 . . . . 50.0 111.061 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -84.21 -26.15 28.94 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.942 0.401 . . . . 75.0 110.446 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 655' ' ' GLU . 81.7 mttt -79.35 -29.5 42.26 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.251 -0.886 . . . . 75.0 112.043 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.48 HG23 HG12 ' A' ' 611' ' ' ILE . 62.0 mt -80.2 -23.55 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 121.043 0.449 . . . . 50.0 110.059 175.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -70.45 -19.2 62.98 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.726 -0.67 . . . . 50.0 111.956 174.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -74.74 -41.91 59.25 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.904 0.482 . . . . 75.0 111.956 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -70.43 -46.75 63.29 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.376 0.671 . . . . 50.0 112.686 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.5 -21.44 60.15 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 112.303 0.482 . . . . 50.0 112.303 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -86.43 -18.78 30.86 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 122.556 0.342 . . . . 75.0 111.02 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -76.14 -26.2 56.08 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.244 0.34 . . . . 50.0 111.278 177.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -86.15 -18.2 32.9 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.991 -0.55 . . . . 75.0 111.284 176.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -79.83 -33.4 40.3 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.752 -0.658 . . . . 75.0 111.235 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 87.3 mtm-85 -91.49 -8.62 47.12 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.296 -0.411 . . . . 75.0 111.319 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 91.8 p -90.12 -32.02 16.85 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.984 0.365 . . . . 50.0 111.984 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -100.7 -8.61 22.65 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 123.137 0.273 . . . . 75.0 111.516 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 117.953 -1.022 . . . . 50.0 110.745 178.668 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.506 -0.238 . . . . 25.0 112.506 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 11.8 t -123.55 131.23 24.28 Favored Pre-proline 0 CA--C 1.541 0.608 0 O-C-N 123.653 0.266 . . . . 50.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -72.68 -20.1 23.46 Favored 'Trans proline' 0 C--N 1.376 2.023 0 C-N-CA 122.401 2.067 . . . . 75.0 114.322 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 112.93 125.35 4.38 Favored Glycine 0 C--N 1.341 0.851 0 O-C-N 123.369 0.418 . . . . 50.0 112.792 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -129.28 90.63 44.2 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 122.363 0.265 . . . . 50.0 110.748 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.12 105.44 1.96 Allowed 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.552 2.168 . . . . 75.0 112.776 178.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -136.23 141.59 43.98 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.711 -0.677 . . . . 50.0 110.887 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 155.38 80.09 0.03 OUTLIER Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.931 -0.577 . . . . 50.0 112.623 179.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 92.4 mt -108.67 -154.96 0.54 Allowed 'General case' 0 CA--C 1.538 0.506 0 O-C-N 123.655 0.268 . . . . 75.0 110.81 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 94.4 mt 51.6 58.03 5.92 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 124.455 1.102 . . . . 50.0 110.085 -172.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 34.4 t 58.27 96.93 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 113.98 -1.464 . . . . 50.0 111.854 -178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -150.97 -46.03 0.02 OUTLIER Glycine 0 C--N 1.337 0.601 0 CA-C-N 115.224 -0.898 . . . . 75.0 112.494 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -122.0 -6.86 8.95 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.99 0.424 . . . . 75.0 110.85 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -101.53 -4.08 27.35 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.365 -0.834 . . . . 75.0 112.249 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -86.24 -9.79 55.84 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.025 -0.989 . . . . 75.0 111.583 -176.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -83.53 -15.12 50.52 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 111.951 0.352 . . . . 50.0 111.951 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 96.9 p -80.7 -23.47 39.5 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.913 -0.585 . . . . 75.0 110.908 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 89.7 p -90.43 -41.57 11.38 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.98 -0.554 . . . . 50.0 112.21 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.0 mt -85.96 -43.34 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 111.798 0.296 . . . . 50.0 111.798 -173.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -77.9 -10.47 59.59 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.453 0.538 . . . . 75.0 112.453 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -101.1 -7.11 23.49 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.336 -0.847 . . . . 75.0 110.138 175.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 57.7 ttm -95.79 -30.54 13.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.961 -0.563 . . . . 50.0 111.158 171.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' B' ' 545' ' ' LEU . 28.4 m-20 -88.79 -19.51 25.9 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.977 -0.556 . . . . 50.0 112.338 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -75.51 -21.22 58.17 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 111.916 0.339 . . . . 75.0 111.916 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 88.5 p -81.58 -37.18 28.1 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.06 0.393 . . . . 50.0 112.06 -177.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -81.81 -21.63 37.55 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.804 0.442 . . . . 25.0 111.196 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' B' ' 541' ' ' ASP . 1.5 mp -77.89 -18.59 56.0 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 115.356 -0.838 . . . . 75.0 111.703 -178.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 69.7 mt -87.91 -28.04 21.78 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.984 0.421 . . . . 50.0 111.181 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 77.2 p -74.64 -16.57 60.77 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.33 -0.85 . . . . 75.0 112.4 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -88.51 -14.83 36.82 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.671 0.619 . . . . 75.0 112.671 -178.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 74.5 mt -105.08 -25.54 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 116.027 -0.533 . . . . 50.0 112.05 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 93.3 p -97.88 -39.46 8.98 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.199 0.312 . . . . 50.0 111.359 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 117.915 -1.04 . . . . 50.0 110.924 -179.924 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.589 -0.204 . . . . 25.0 112.589 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 90.5 t -90.42 135.36 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 110.085 -0.339 . . . . 75.0 110.085 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -91.08 124.85 35.62 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.981 -0.554 . . . . 75.0 110.568 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -114.24 125.01 53.43 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.769 -0.65 . . . . 75.0 111.358 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -82.25 -26.5 47.75 Favored Glycine 0 C--N 1.34 0.766 0 CA-C-N 115.555 -0.748 . . . . 50.0 113.017 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -84.51 -31.56 24.4 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.149 0.58 . . . . 50.0 112.285 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -67.47 -32.19 72.86 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.428 0.291 . . . . 50.0 111.614 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -87.99 -10.68 49.67 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.285 0.366 . . . . 50.0 111.486 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -103.06 -26.71 12.95 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.916 -0.584 . . . . 75.0 111.462 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.431 HG21 HD12 ' A' ' 599' ' ' LEU . 21.4 t -85.01 127.23 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 109.271 -0.64 . . . . 50.0 109.271 178.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 64.0 p -104.63 175.54 5.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.784 -0.644 . . . . 25.0 111.851 -176.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -66.2 -18.94 65.66 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.039 -0.982 . . . . 75.0 110.046 166.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -82.07 -30.97 31.04 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.938 -0.573 . . . . 75.0 111.926 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.431 HD12 HG21 ' A' ' 595' ' ' VAL . 9.7 mt -67.25 -44.66 78.87 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 117.593 0.179 . . . . 75.0 111.252 174.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -53.83 -32.45 52.91 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.923 0.392 . . . . 75.0 111.18 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 66.1 p -85.04 -30.93 23.72 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.142 -0.935 . . . . 75.0 111.96 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -77.8 -36.17 50.64 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.6 0.36 . . . . 50.0 111.651 -176.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.46 -29.91 71.12 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 122.988 0.515 . . . . 50.0 111.838 172.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 82.4 t -82.3 -26.78 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 CA-C-N 115.472 -0.785 . . . . 50.0 110.174 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -83.71 -18.39 38.07 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.241 -0.436 . . . . 50.0 110.307 173.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -86.15 -21.9 27.31 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.404 -0.816 . . . . 75.0 109.25 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 1.1 tp -86.73 -49.12 7.69 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 114.285 -1.325 . . . . 75.0 111.709 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.63 -25.55 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.298 0.639 . . . . 50.0 111.682 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -83.16 -29.31 28.72 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 120.527 0.203 . . . . 75.0 111.284 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.65 -32.28 53.16 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.912 -0.586 . . . . 25.0 111.53 176.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.558 HG12 HG21 ' A' ' 660' ' ' ILE . 87.1 mt -78.78 -55.65 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 116.282 -0.417 . . . . 75.0 110.012 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' B' ' 545' ' ' LEU . 59.7 t80 -138.01 103.54 8.18 Favored Pre-proline 0 CA--C 1.549 0.917 0 O-C-N 123.236 0.335 . . . . 75.0 110.506 175.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -79.06 135.56 12.41 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.509 2.139 . . . . 50.0 112.549 173.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 2.5 t -151.99 127.54 4.94 Favored Pre-proline 0 CA--C 1.544 0.739 0 CA-C-N 116.407 -0.36 . . . . 25.0 111.909 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -49.1 -55.02 4.55 Favored 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 124.065 3.176 . . . . 75.0 114.533 173.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -73.65 116.38 51.13 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 115.721 -0.672 . . . . 50.0 112.514 -176.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -66.43 -10.53 28.03 Favored 'Trans proline' 0 C--N 1.375 1.933 0 C-N-CA 122.775 2.316 . . . . 50.0 113.814 173.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -72.74 -11.98 60.83 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -178.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.07 -14.97 52.73 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.696 0.398 . . . . 25.0 111.848 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 88.8 mt -83.34 -6.89 59.61 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.062 -0.517 . . . . 50.0 112.182 -176.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -106.43 14.91 26.66 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.108 0.48 . . . . 75.0 110.544 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -79.4 165.44 23.1 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.859 -0.61 . . . . 75.0 111.297 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 96.6 mtm-85 -72.31 -54.68 8.81 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 122.848 0.459 . . . . 75.0 111.67 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.441 HH11 ' HB2' ' B' ' 544' ' ' ALA . 95.7 mtt180 -69.07 -27.03 65.27 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.883 0.697 . . . . 50.0 112.883 -177.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -78.52 -38.83 39.73 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 111.636 0.236 . . . . 75.0 111.636 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.87 -20.03 20.85 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.103 0.561 . . . . 75.0 112.124 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -71.85 -35.96 70.01 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.9 0.48 . . . . 50.0 111.913 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.501 HD13 ' CB ' ' B' ' 541' ' ' ASP . 0.6 OUTLIER -86.47 -28.83 23.23 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 110.495 -0.187 . . . . 50.0 110.495 178.396 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.47 -32.76 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.013 0.525 . . . . 50.0 109.968 170.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -82.11 -18.94 41.23 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.786 -1.097 . . . . 25.0 111.454 177.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . 0.447 ' CD1' ' HA ' ' A' ' 628' ' ' LEU . 12.3 m-30 -75.93 -37.12 59.05 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.769 -0.651 . . . . 75.0 110.982 173.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.71 -24.43 28.92 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.255 0.347 . . . . 25.0 111.485 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -66.41 -31.22 71.85 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.193 0.597 . . . . 75.0 112.142 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -87.22 -24.62 24.36 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.826 1.047 . . . . 75.0 113.826 -177.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 5.1 t -69.49 -51.68 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 112.963 0.727 . . . . 50.0 112.963 -170.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -63.84 -20.42 65.79 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.887 0.699 . . . . 75.0 112.887 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -76.52 -24.98 66.49 Favored Glycine 0 C--N 1.343 0.96 0 O-C-N 123.276 0.36 . . . . 50.0 112.76 174.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -87.5 -19.45 27.92 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.889 0.476 . . . . 50.0 110.651 176.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 4.3 mtp -70.68 -22.27 62.49 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.189 0.596 . . . . 75.0 112.232 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -73.99 -30.81 62.67 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.116 0.567 . . . . 50.0 111.57 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -88.58 -24.58 22.82 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.14 -0.482 . . . . 75.0 111.921 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 52.1 m -92.45 -35.28 13.74 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.131 0.419 . . . . 50.0 112.131 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -94.99 138.61 32.49 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.132 0.27 . . . . 25.0 111.408 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -107.69 -9.32 15.86 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.941 -0.572 . . . . 75.0 111.87 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 6.6 p -132.97 156.33 47.49 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.227 -0.442 . . . . 75.0 110.452 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 54.0 ptt85 -76.35 -18.32 58.96 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.888 -0.596 . . . . 75.0 111.555 -177.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -80.88 -25.29 37.71 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.332 0.395 . . . . 50.0 111.206 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -86.75 -45.27 11.09 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.166 -0.47 . . . . 75.0 110.011 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -53.9 -52.43 60.53 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.561 0.744 . . . . 75.0 111.4 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -72.06 -15.88 62.02 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.109 0.781 . . . . 50.0 113.109 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -83.1 -40.9 19.23 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 122.992 0.182 . . . . 50.0 110.872 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 73.6 mt -59.51 -42.87 93.18 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.76 0.824 . . . . 50.0 112.568 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.28 -23.44 59.11 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.527 0.565 . . . . 75.0 112.527 176.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -84.8 -32.73 23.19 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 177.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -83.7 -21.32 32.39 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.076 0.235 . . . . 75.0 111.402 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -71.51 -31.49 67.13 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 108.44 -0.948 . . . . 75.0 108.44 167.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 5.4 mt -68.41 -29.93 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 114.775 -1.102 . . . . 50.0 109.862 173.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 662' ' ' LYS . 87.4 t80 -85.12 -30.64 23.84 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.645 -0.707 . . . . 75.0 110.786 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.469 ' HE2' ' OE2' ' A' ' 663' ' ' GLU . 88.1 tttt -72.33 -40.57 67.33 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.554 0.576 . . . . 75.0 112.554 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.558 HG21 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -67.86 -31.86 53.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 CA-C-N 115.572 -0.74 . . . . 50.0 110.043 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -75.5 -21.69 57.81 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.879 -0.601 . . . . 50.0 111.781 172.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 658' ' ' TYR . 61.4 tttm -85.21 -46.82 10.7 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.885 1.274 . . . . 75.0 110.972 -176.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.469 ' OE2' ' HE2' ' A' ' 659' ' ' LYS . 97.3 mt-10 -62.95 -41.14 99.41 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.572 -0.74 . . . . 50.0 112.682 -178.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.408 ' O ' ' HG3' ' A' ' 668' ' ' ARG . 85.9 mt -60.99 -28.79 69.27 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.356 0.502 . . . . 50.0 112.356 174.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -77.24 -21.89 53.06 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 122.517 0.327 . . . . 50.0 111.49 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -78.1 -22.69 48.57 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.191 -0.459 . . . . 50.0 110.753 174.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.411 ' HG3' ' OD2' ' B' ' 539' ' ' ASP . 46.9 mmtm -86.53 -17.94 32.79 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.688 -0.687 . . . . 75.0 110.615 176.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 664' ' ' LEU . 88.2 mtt-85 -81.58 -18.92 43.14 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.66 -0.7 . . . . 50.0 111.467 -177.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -85.4 -24.44 27.52 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.404 -0.362 . . . . 75.0 111.188 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 54.3 p -91.12 -30.1 16.91 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.304 0.377 . . . . 50.0 111.384 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -153.27 104.91 2.82 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.502 -0.555 . . . . 75.0 109.502 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 41.2 tp . . . . . 0 C--O 1.25 1.115 0 CA-C-N 114.988 -1.005 . . . . 75.0 112.554 178.682 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.434 -0.267 . . . . 25.0 112.434 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 28.1 t -115.37 130.79 24.0 Favored Pre-proline 0 CA--C 1.541 0.615 0 CA-C-O 119.478 -0.296 . . . . 50.0 110.922 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -72.81 140.53 32.25 Favored 'Trans proline' 0 C--N 1.374 1.915 0 C-N-CA 122.408 2.072 . . . . 75.0 113.324 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -130.37 -148.49 6.39 Favored Glycine 0 C--N 1.338 0.639 0 CA-C-N 115.916 -0.584 . . . . 50.0 112.894 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -117.79 103.14 50.83 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 122.493 0.317 . . . . 50.0 111.124 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -67.91 131.57 24.32 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.563 2.175 . . . . 75.0 112.706 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -121.39 -37.48 2.91 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.985 -0.552 . . . . 50.0 111.821 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -121.94 -49.59 0.25 Allowed Glycine 0 C--N 1.341 0.806 0 C-N-CA 121.351 -0.452 . . . . 50.0 112.873 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 82.4 mt -113.55 125.05 53.77 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.858 0.361 . . . . 75.0 110.096 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 5.0 tp -116.94 -9.57 11.12 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.524 -0.762 . . . . 50.0 110.271 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 45.6 p -155.36 -48.73 0.08 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.766 -0.652 . . . . 50.0 111.265 -176.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 102.93 91.26 2.18 Favored Glycine 0 C--N 1.343 0.94 0 O-C-N 123.466 0.479 . . . . 50.0 112.672 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -131.52 -6.19 3.71 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.859 0.361 . . . . 50.0 110.676 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -95.92 -5.28 41.79 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.685 -0.688 . . . . 75.0 112.036 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -91.43 -9.74 43.52 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.867 -1.06 . . . . 75.0 111.383 -178.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -68.5 -11.31 59.67 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.119 0.785 . . . . 50.0 113.119 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 88.5 p -71.72 -33.39 68.69 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.317 -0.856 . . . . 75.0 111.549 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 78.3 p -90.19 -31.15 17.16 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.112 0.412 . . . . 75.0 112.112 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 91.9 mt -87.19 -33.76 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 111.94 0.348 . . . . 50.0 111.94 -174.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.44 -11.42 59.25 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.525 0.565 . . . . 50.0 112.525 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . 0.411 ' OD2' ' HG3' ' A' ' 667' ' ' LYS . 64.7 m-20 -100.67 -7.17 24.15 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.369 -0.832 . . . . 75.0 109.626 174.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 56.5 ttm -97.39 -32.07 12.05 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.077 -0.965 . . . . 75.0 109.804 174.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . 0.555 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 50.3 m-20 -89.69 -20.14 23.99 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.178 -0.919 . . . . 50.0 111.851 -178.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -73.32 -27.59 61.6 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 122.154 0.182 . . . . 75.0 111.095 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.9 p -82.04 -26.38 33.81 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.05 -0.523 . . . . 50.0 111.723 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . 0.441 ' HB2' HH11 ' A' ' 624' ' ' ARG . . . -82.91 -22.17 33.98 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.909 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 40.5 mt -82.58 -14.83 54.16 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.495 0.554 . . . . 50.0 112.495 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 88.3 mt -72.64 -29.94 63.88 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 120.858 0.361 . . . . 50.0 111.293 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.9 p -75.56 -16.23 60.28 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.377 -0.828 . . . . 75.0 111.936 177.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . 0.49 ' NE2' HD22 ' B' ' 545' ' ' LEU . 95.1 mt-30 -73.53 -11.25 60.38 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.581 0.585 . . . . 75.0 112.581 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 89.5 mt -91.56 -32.23 5.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 115.947 -0.57 . . . . 50.0 110.67 -178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 61.8 p -89.98 -37.02 14.63 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.327 0.392 . . . . 50.0 111.732 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.823 -0.608 . . . . 50.0 110.955 179.314 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.456 -0.257 . . . . 25.0 112.456 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 63.9 t -90.41 144.63 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 109.983 -0.377 . . . . 75.0 109.983 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.495 ' HD2' ' OE2' ' A' ' 593' ' ' GLU . 68.4 ttp85 -91.77 123.65 35.32 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.868 -0.606 . . . . 50.0 110.726 -175.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -127.25 -172.29 2.62 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.431 -0.804 . . . . 75.0 110.926 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -64.44 -36.11 92.78 Favored Glycine 0 C--N 1.348 1.201 0 N-CA-C 114.302 0.481 . . . . 50.0 114.302 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . 0.522 ' NE1' HG22 ' A' ' 595' ' ' VAL . 13.6 t90 -70.74 -33.59 70.98 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 112.554 0.576 . . . . 50.0 112.554 -177.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -72.64 -13.35 61.35 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 116.55 -0.295 . . . . 50.0 111.401 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.495 ' OE2' ' HD2' ' A' ' 588' ' ' ARG . 70.0 mm-40 -82.26 -29.25 31.35 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.153 0.427 . . . . 75.0 112.153 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -106.69 -24.84 11.99 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.043 0.757 . . . . 50.0 113.043 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.522 HG22 ' NE1' ' A' ' 591' ' ' TRP . 77.3 t -79.38 125.11 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 109.539 -0.541 . . . . 50.0 109.539 178.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 80.3 p -112.78 -176.06 2.82 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.953 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -69.94 -19.04 63.4 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.105 -0.952 . . . . 50.0 109.689 166.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -81.97 -44.88 16.14 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.056 -0.52 . . . . 50.0 111.295 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.404 HD22 HG21 ' A' ' 595' ' ' VAL . 63.4 tp -59.43 -45.03 92.72 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 111.902 0.334 . . . . 75.0 111.902 175.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.527 ' HG2' ' OE2' ' A' ' 636' ' ' GLU . 85.6 mtp180 -62.07 -23.48 66.53 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 111.991 0.367 . . . . 75.0 111.991 -177.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 58.4 p -83.56 -28.62 28.45 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.051 -0.522 . . . . 75.0 110.763 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -78.98 -22.54 45.44 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.459 0.703 . . . . 75.0 111.574 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 71.4 mt -80.89 -35.17 32.93 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.541 -0.754 . . . . 75.0 109.822 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 50.6 t -75.04 -30.79 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 CA-C-N 115.051 -0.977 . . . . 50.0 110.71 172.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.57 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 64.2 t60 -78.43 -17.88 55.75 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.554 0.342 . . . . 50.0 110.942 177.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -85.21 -24.91 27.65 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 122.104 0.954 . . . . 75.0 109.18 174.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.428 ' CD2' ' HB3' ' A' ' 632' ' ' ALA . 17.4 tp -87.6 -38.23 16.12 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 113.108 -1.86 . . . . 75.0 111.885 -173.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 40.6 t -72.63 -27.49 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.18 0.592 . . . . 50.0 111.33 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 97.1 mm-40 -80.17 -36.0 35.66 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-O 120.931 0.396 . . . . 75.0 110.664 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . 0.448 ' CB ' HG12 ' A' ' 657' ' ' ILE . . . -64.28 -34.12 77.39 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.158 -0.928 . . . . 25.0 111.839 174.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.523 HG12 HG23 ' A' ' 660' ' ' ILE . 96.0 mt -80.22 -56.15 7.29 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 N-CA-C 109.452 -0.574 . . . . 75.0 109.452 176.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.442 ' CG ' HD13 ' B' ' 545' ' ' LEU . 76.6 t80 -141.31 113.8 6.78 Favored Pre-proline 0 CA--C 1.549 0.923 0 O-C-N 123.322 0.389 . . . . 50.0 110.206 173.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.12 140.49 92.66 Favored 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.472 2.115 . . . . 50.0 112.758 175.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 86.2 m -99.53 115.01 65.96 Favored Pre-proline 0 C--O 1.236 0.366 0 N-CA-C 113.002 0.741 . . . . 25.0 113.002 -176.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -69.13 -55.61 0.19 Allowed 'Trans proline' 0 C--N 1.367 1.525 0 C-N-CA 123.215 2.61 . . . . 75.0 112.382 166.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -127.68 141.51 41.25 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 115.353 -0.839 . . . . 75.0 111.544 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -58.9 -13.21 17.54 Favored 'Trans proline' 0 C--N 1.371 1.759 0 C-N-CA 124.023 3.149 . . . . 50.0 114.113 173.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.44 -34.96 58.74 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.688 0.395 . . . . 25.0 111.794 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.44 -26.64 61.03 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.079 0.466 . . . . 25.0 110.909 173.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 18.4 tp -81.93 -10.14 59.37 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.004 -0.998 . . . . 75.0 111.711 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -102.88 14.54 31.7 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.232 -0.44 . . . . 75.0 110.494 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -82.53 161.91 22.18 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.755 -0.657 . . . . 75.0 111.148 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.5 mmp_? -79.28 -39.8 32.07 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.615 -0.721 . . . . 75.0 110.626 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -68.01 -24.8 65.15 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 114.74 -1.118 . . . . 50.0 112.178 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -88.35 -38.21 15.32 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.332 -0.395 . . . . 75.0 111.141 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -55.92 -20.3 15.42 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.427 0.691 . . . . 75.0 112.395 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -69.99 -36.05 74.86 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.479 0.548 . . . . 50.0 112.479 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 16.0 mt -86.58 -29.25 22.76 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 110.589 -0.152 . . . . 50.0 110.589 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 73.3 t -56.87 -35.46 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 120.99 0.424 . . . . 50.0 109.867 171.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -75.74 -18.81 59.43 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.109 -0.95 . . . . 25.0 111.36 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . 0.471 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 60.1 t80 -78.82 -35.17 44.52 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.613 -0.721 . . . . 75.0 110.74 172.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . 0.428 ' HB3' ' CD2' ' A' ' 607' ' ' LEU . . . -83.48 -29.05 28.3 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.405 0.44 . . . . 25.0 111.458 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -64.92 -38.81 92.21 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.261 0.553 . . . . 75.0 111.341 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -77.21 -28.81 53.95 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 114.706 -1.134 . . . . 75.0 111.002 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.406 ' HB ' ' HA ' ' A' ' 632' ' ' ALA . 1.2 t -74.4 -44.33 48.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 115.369 -0.832 . . . . 75.0 112.11 -170.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.527 ' OE2' ' HG2' ' A' ' 600' ' ' ARG . 12.1 tm-20 -65.73 -29.01 69.47 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.126 0.57 . . . . 75.0 111.356 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -74.84 -19.04 80.09 Favored Glycine 0 C--N 1.344 0.986 0 CA-C-N 116.116 -0.493 . . . . 50.0 113.358 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -79.18 -19.26 51.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.836 0.454 . . . . 50.0 111.099 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.584 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 14.2 mtt -76.02 -24.17 55.23 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.445 0.535 . . . . 75.0 112.445 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -27.54 50.66 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.349 -0.387 . . . . 50.0 111.3 -177.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -88.73 -21.4 23.87 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.155 -0.475 . . . . 75.0 111.901 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 m -94.59 -46.0 7.15 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.841 0.312 . . . . 75.0 111.841 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -88.75 152.19 21.94 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.857 0.318 . . . . 25.0 111.857 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -116.87 -9.04 11.26 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.066 -0.515 . . . . 75.0 112.03 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 49.4 m -132.34 155.97 47.44 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 122.557 0.343 . . . . 50.0 110.475 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.584 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 1.5 ptt-85 -70.26 -24.8 63.12 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.044 0.757 . . . . 50.0 113.044 -177.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -81.44 -25.15 36.38 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.193 0.308 . . . . 50.0 111.278 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 651' ' ' HIS . 36.1 mm-40 -86.38 -46.8 9.92 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.19 -0.459 . . . . 75.0 110.069 176.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . 0.478 ' OH ' ' OE2' ' A' ' 636' ' ' GLU . 74.2 t80 -53.96 -54.1 43.67 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.926 0.89 . . . . 75.0 111.764 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 646' ' ' ARG . 22.6 m-85 -64.01 -15.13 58.69 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.711 0.634 . . . . 75.0 112.711 176.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 648' ' ' GLU . 84.7 t60 -81.84 -43.36 18.34 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 119.331 -0.366 . . . . 50.0 111.858 -177.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 656' ' ' LYS . 97.1 mt -59.79 -23.04 62.98 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.159 0.8 . . . . 75.0 113.159 -178.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.584 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 51.4 tp -87.66 -39.94 14.59 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 110.51 -0.181 . . . . 75.0 110.51 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.467 ' O ' ' CD1' ' A' ' 658' ' ' TYR . . . -69.83 -25.16 63.62 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.495 0.497 . . . . 25.0 111.492 175.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.78 -35.63 29.37 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.133 -0.485 . . . . 50.0 111.143 176.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 652' ' ' LEU . 31.9 mttt -71.88 -22.34 61.52 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.461 0.476 . . . . 75.0 109.718 173.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.448 HG12 ' CB ' ' A' ' 610' ' ' ALA . 2.0 mt -72.87 -29.99 31.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 115.604 -0.725 . . . . 50.0 110.253 176.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . 0.467 ' CD1' ' O ' ' A' ' 654' ' ' ALA . 27.9 m-85 -85.11 -30.91 23.65 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.337 -0.392 . . . . 75.0 111.156 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -76.64 -34.58 58.31 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.324 0.49 . . . . 75.0 112.324 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.523 HG23 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -73.34 -32.81 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.762 -0.459 . . . . 50.0 109.762 176.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -67.52 -20.04 65.38 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.493 -0.776 . . . . 50.0 112.273 174.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -72.89 -36.97 67.43 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.867 0.467 . . . . 75.0 111.764 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -69.89 -48.02 60.29 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.568 0.747 . . . . 75.0 111.489 -177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 98.7 mt -68.27 -18.85 64.64 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.591 0.589 . . . . 50.0 112.591 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . 0.442 ' HA ' ' HD2' ' A' ' 668' ' ' ARG . 44.8 tp10 -82.24 -19.06 40.42 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.442 0.297 . . . . 75.0 111.07 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -75.86 -27.87 57.97 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 122.644 0.377 . . . . 50.0 111.635 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -86.16 -18.1 33.16 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.095 -0.502 . . . . 75.0 111.441 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . 0.442 ' HD2' ' HA ' ' A' ' 665' ' ' GLU . 78.3 mtt180 -76.88 -32.13 57.24 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.989 -0.55 . . . . 75.0 111.375 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -91.6 -12.2 34.98 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.327 0.392 . . . . 75.0 111.829 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 87.0 p -98.44 -23.85 15.4 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.045 0.387 . . . . 50.0 112.045 -177.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -95.95 -9.03 32.23 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 123.175 0.297 . . . . 75.0 111.648 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.87 -1.062 . . . . 50.0 110.752 178.792 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.457 -0.257 . . . . 25.0 112.457 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 28.1 t -123.11 133.03 24.27 Favored Pre-proline 0 CA--C 1.541 0.615 0 CA-C-O 119.482 -0.294 . . . . 50.0 110.79 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -71.68 143.54 42.18 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.475 2.116 . . . . 75.0 113.325 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -131.71 -21.18 1.03 Allowed Glycine 0 C--N 1.338 0.64 0 CA-C-N 115.857 -0.61 . . . . 50.0 113.177 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 61.08 100.37 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.31 0 C-N-CA 123.91 0.884 . . . . 75.0 111.848 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -64.06 -26.02 65.91 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.743 2.296 . . . . 75.0 113.777 178.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -98.79 -37.14 9.57 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.182 0.301 . . . . 50.0 111.518 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 107.56 171.86 22.07 Favored Glycine 0 C--N 1.342 0.886 0 O-C-N 123.362 0.414 . . . . 50.0 112.991 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 85.5 mt -133.21 -46.43 0.84 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.283 0.563 . . . . 75.0 110.344 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 68.7 mt -102.16 -10.36 19.69 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.412 -1.267 . . . . 50.0 110.406 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 88.7 p -125.24 41.28 3.55 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.397 -0.82 . . . . 50.0 110.556 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -97.78 -48.45 1.94 Allowed Glycine 0 C--N 1.341 0.842 0 CA-C-N 115.61 -0.723 . . . . 75.0 113.235 -177.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -126.58 -7.74 6.27 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.892 0.377 . . . . 75.0 111.233 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -97.27 -5.24 37.21 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.525 -0.761 . . . . 75.0 111.97 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -91.74 -9.65 42.93 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.881 -1.054 . . . . 75.0 111.491 -178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' B' ' 538' ' ' ALA . 22.8 t80 -66.75 -11.79 56.1 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.292 0.849 . . . . 50.0 113.292 -177.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 88.5 p -71.38 -32.49 68.53 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.466 -0.788 . . . . 75.0 111.789 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 85.1 p -90.27 -30.78 17.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.147 -0.479 . . . . 75.0 112.039 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 85.3 mt -86.76 -32.71 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 111.876 0.325 . . . . 50.0 111.876 -175.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . 0.588 ' HB2' ' CE2' ' B' ' 534' ' ' PHE . . . -81.42 -11.43 59.26 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.641 0.608 . . . . 50.0 112.641 -176.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -98.21 -14.58 20.26 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.505 -0.77 . . . . 75.0 110.02 175.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 94.5 mtp -91.48 -27.84 18.0 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.452 -0.795 . . . . 50.0 110.973 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -92.61 -19.84 21.49 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.628 -0.715 . . . . 50.0 111.613 -178.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -76.5 -26.79 55.66 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.464 0.173 . . . . 75.0 111.209 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.8 p -81.62 -23.52 36.97 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.472 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' B' ' 548' ' ' GLN . . . -84.24 -22.88 30.65 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.983 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.442 HD13 ' CG ' ' A' ' 612' ' ' PHE . 61.2 mt -81.31 -15.41 55.48 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.389 0.515 . . . . 50.0 112.389 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 98.3 mt -82.13 -42.0 19.71 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 120.889 0.376 . . . . 50.0 110.695 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 89.7 p -76.33 -15.77 59.9 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.297 -0.865 . . . . 75.0 111.309 175.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' B' ' 544' ' ' ALA . 46.8 tp60 -75.98 -24.69 55.37 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.266 0.626 . . . . 50.0 111.907 -177.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 14.2 mt -102.35 -28.8 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 115.467 -0.788 . . . . 50.0 112.199 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 94.7 p -92.66 -24.07 18.77 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.268 0.355 . . . . 50.0 111.847 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.486 1.333 0 C-N-CA 124.381 1.072 . . . . 50.0 112.701 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.464 -0.254 . . . . 25.0 112.464 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 73.0 t -90.48 140.55 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 110.186 -0.302 . . . . 75.0 110.186 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -92.54 124.79 36.83 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.976 -0.556 . . . . 50.0 109.902 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -123.14 126.63 47.39 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.415 -0.357 . . . . 75.0 111.367 -177.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -80.71 -24.31 58.56 Favored Glycine 0 C--N 1.341 0.83 0 CA-C-N 115.564 -0.743 . . . . 50.0 113.671 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -79.25 -27.37 42.37 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.182 0.438 . . . . 50.0 112.182 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -13.23 61.27 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 116.182 -0.463 . . . . 50.0 111.421 175.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -86.44 -31.63 21.29 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.542 0.571 . . . . 50.0 112.542 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -102.13 -21.25 14.45 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.126 0.787 . . . . 50.0 113.126 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 53.6 t -79.13 129.01 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-O 121.105 0.478 . . . . 50.0 110.721 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 80.3 p -111.48 -176.03 2.85 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.788 -1.096 . . . . 25.0 111.179 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -75.42 -17.09 60.27 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.883 -0.599 . . . . 75.0 110.08 167.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -78.0 -33.13 51.41 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 115.95 -0.568 . . . . 75.0 111.888 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.9 -47.87 81.42 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 112.013 0.375 . . . . 75.0 112.013 174.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -60.19 -21.79 62.16 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.59 0.589 . . . . 75.0 112.59 -175.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.8 p -83.41 -30.58 27.22 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.276 -0.42 . . . . 75.0 111.13 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -82.21 -20.21 38.2 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.418 0.449 . . . . 50.0 110.434 176.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.481 ' O ' HD22 ' A' ' 653' ' ' LEU . 26.8 mt -76.4 -35.11 58.78 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.53 -0.759 . . . . 75.0 109.958 174.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 39.6 t -74.73 -35.56 37.47 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-N 115.216 -0.902 . . . . 50.0 110.755 172.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.547 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 76.1 t60 -73.35 -16.74 61.34 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.854 0.359 . . . . 50.0 110.817 176.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -84.83 -28.56 25.99 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.198 0.999 . . . . 75.0 108.756 176.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.592 HD21 ' CD1' ' A' ' 653' ' ' LEU . 14.4 tp -87.61 -41.21 13.58 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 112.962 -1.926 . . . . 75.0 111.788 -173.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 42.5 t -72.8 -24.99 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.274 0.63 . . . . 50.0 111.159 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 98.5 mm-40 -82.05 -27.83 32.78 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.654 0.264 . . . . 75.0 111.398 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -75.95 -29.75 58.4 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.882 -0.599 . . . . 25.0 111.538 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.527 HG12 HG23 ' A' ' 660' ' ' ILE . 97.5 mt -82.79 -56.5 5.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 N-CA-C 109.473 -0.566 . . . . 75.0 109.473 177.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.401 ' CD2' HD12 ' B' ' 545' ' ' LEU . 89.1 t80 -141.78 110.03 6.11 Favored Pre-proline 0 CA--C 1.549 0.919 0 O-C-N 123.339 0.399 . . . . 50.0 110.381 173.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -66.9 136.13 40.4 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 122.415 2.077 . . . . 50.0 112.324 173.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.19 114.35 61.29 Favored Pre-proline 0 C--O 1.236 0.381 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 -176.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -60.83 -52.46 3.63 Favored 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 123.362 2.708 . . . . 75.0 112.755 167.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -108.97 123.43 37.02 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 114.892 -1.049 . . . . 50.0 111.357 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -61.62 -10.2 15.9 Favored 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 123.095 2.53 . . . . 50.0 114.201 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.82 -8.14 57.62 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.616 0.599 . . . . 25.0 112.616 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.0 -8.02 59.68 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.726 0.41 . . . . 25.0 112.076 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 95.1 mt -83.55 2.92 34.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.101 -0.5 . . . . 75.0 112.195 -175.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -101.52 14.51 31.74 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.097 0.475 . . . . 75.0 110.45 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -88.92 150.02 23.05 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.701 -0.681 . . . . 75.0 110.707 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -79.81 -36.09 37.44 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.44 -0.8 . . . . 75.0 110.875 -175.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.408 ' HE ' ' CB ' ' B' ' 544' ' ' ALA . 73.8 mtp85 -69.64 -28.08 65.59 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.809 -1.087 . . . . 50.0 112.08 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 15.9 ttt -86.34 -35.3 19.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.229 -0.441 . . . . 75.0 111.358 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -55.8 -21.14 17.89 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 112.722 0.638 . . . . 75.0 112.722 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -77.99 -28.42 49.3 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.49 0.316 . . . . 50.0 111.44 176.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.75 -32.34 21.91 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.064 -0.516 . . . . 50.0 110.271 175.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.61 HG13 ' HD2' ' A' ' 633' ' ' LYS . 74.5 t -60.93 -33.91 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 122.978 0.511 . . . . 50.0 110.092 170.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -83.96 -19.13 35.14 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.457 -0.792 . . . . 25.0 112.111 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -73.81 -40.94 62.99 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.407 -0.361 . . . . 75.0 110.14 171.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . 0.432 ' HB3' ' CD2' ' A' ' 607' ' ' LEU . . . -80.12 -31.6 39.1 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.738 -176.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.61 ' HD2' HG13 ' A' ' 629' ' ' VAL . 41.6 mttt -68.61 -21.11 64.51 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.787 -0.642 . . . . 75.0 110.752 177.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -86.67 -39.45 16.05 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.132 -0.94 . . . . 75.0 112.472 -177.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.08 -52.02 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 113.821 1.045 . . . . 50.0 113.821 -166.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.4 ' HA ' ' HG3' ' A' ' 639' ' ' MET . 2.9 pp20? -57.94 -20.39 37.31 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 113.419 0.896 . . . . 75.0 113.419 -176.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.49 -23.48 77.99 Favored Glycine 0 C--N 1.345 1.066 0 C-N-CA 121.673 -0.299 . . . . 50.0 113.04 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -87.21 -19.53 28.24 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 122.993 0.517 . . . . 75.0 111.176 175.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.551 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 9.0 mtm -71.62 -28.77 64.02 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.423 -0.353 . . . . 75.0 111.834 177.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -77.24 -25.07 51.19 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.019 -0.537 . . . . 50.0 110.416 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -89.05 -26.14 21.58 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.15 0.98 . . . . 75.0 111.206 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 34.7 m -96.36 -46.17 6.51 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.329 0.492 . . . . 50.0 112.329 -177.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -85.37 153.2 22.69 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.852 0.316 . . . . 25.0 111.852 -178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -114.83 -12.31 12.12 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.88 -0.6 . . . . 75.0 112.064 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.2 p -131.9 158.85 40.29 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.537 0.335 . . . . 50.0 110.54 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 73.1 ttt-85 -72.61 -25.01 61.15 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.024 -0.535 . . . . 75.0 112.208 -174.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -81.0 -25.22 37.39 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.182 0.302 . . . . 50.0 111.416 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -86.08 -45.21 11.61 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.13 -0.486 . . . . 75.0 109.87 175.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . 0.47 ' HD2' ' CD1' ' A' ' 650' ' ' TYR . 76.4 t80 -54.8 -50.46 68.47 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.691 0.796 . . . . 75.0 111.746 178.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.47 ' CD1' ' HD2' ' A' ' 649' ' ' TYR . 9.4 m-85 -68.63 -15.07 63.41 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 112.346 0.498 . . . . 75.0 112.346 176.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -82.19 -40.21 22.06 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.142 0.423 . . . . 75.0 112.142 -177.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 87.1 mt -59.6 -27.22 66.1 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.535 0.569 . . . . 75.0 112.535 178.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.592 ' CD1' HD21 ' A' ' 607' ' ' LEU . 57.9 tp -86.69 -31.46 21.02 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.406 0.282 . . . . 75.0 110.974 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.43 -25.0 60.32 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.351 174.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -73.44 -39.54 64.9 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.191 -0.459 . . . . 75.0 112.063 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -67.97 -27.37 66.54 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.603 -0.518 . . . . 75.0 109.603 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 17.6 mt -71.9 -30.37 36.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 115.298 -0.865 . . . . 50.0 110.555 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -84.54 -32.83 23.66 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.266 -0.425 . . . . 75.0 111.129 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -77.17 -31.54 55.55 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.202 -0.454 . . . . 75.0 112.145 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.527 HG23 HG12 ' A' ' 611' ' ' ILE . 95.0 mt -78.36 -23.84 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-O 121.113 0.483 . . . . 50.0 109.919 176.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -76.46 -19.7 57.77 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.617 -0.72 . . . . 50.0 111.961 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 665' ' ' GLU . 57.9 tttm -75.91 -39.59 56.0 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.811 0.444 . . . . 75.0 111.89 177.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.31 -47.28 64.93 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.414 0.686 . . . . 50.0 112.546 -176.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.53 -19.49 48.64 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 113.021 0.749 . . . . 50.0 113.021 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 662' ' ' LYS . 64.3 mt-10 -66.52 -16.96 64.53 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.271 0.841 . . . . 50.0 113.271 -178.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -75.98 -20.78 57.6 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.538 0.209 . . . . 50.0 111.431 176.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 667' ' ' LYS . 1.9 mptt -84.87 -18.14 35.75 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.989 -0.55 . . . . 75.0 111.014 175.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -79.97 -31.27 39.87 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.012 -0.54 . . . . 75.0 111.497 -177.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 68.9 mtm-85 -91.44 -13.88 31.53 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 123.339 0.399 . . . . 75.0 111.289 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 93.4 p -85.49 -6.86 59.15 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.11 0.411 . . . . 50.0 112.11 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -83.94 -7.3 59.46 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 122.887 0.475 . . . . 75.0 112.111 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.017 -0.992 . . . . 50.0 111.126 -173.227 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 112.499 -0.24 . . . . 25.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 520' ' ' SER . . . . . 0.497 ' HB3' ' HE2' ' B' ' 523' ' ' TYR . 35.5 t 62.3 121.85 0.02 OUTLIER Pre-proline 0 N--CA 1.485 1.298 0 C-N-CA 124.166 0.986 . . . . 50.0 112.09 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -74.17 -23.03 16.14 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.4 2.067 . . . . 75.0 113.76 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -141.22 138.14 8.61 Favored Glycine 0 C--N 1.338 0.656 0 O-C-N 123.48 0.488 . . . . 50.0 112.436 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . 0.53 ' CD2' HD13 ' B' ' 528' ' ' LEU . 23.9 m-85 -111.06 110.36 56.67 Favored Pre-proline 0 CA--C 1.547 0.865 0 O-C-N 123.534 0.197 . . . . 50.0 111.33 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -62.92 154.83 64.08 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.692 2.261 . . . . 75.0 113.058 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -90.74 126.8 36.11 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.998 -0.546 . . . . 50.0 111.088 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 114.03 -26.43 9.91 Favored Glycine 0 C--N 1.339 0.731 0 CA-C-N 115.74 -0.664 . . . . 50.0 112.865 -178.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 78.0 mt -101.49 -164.58 1.11 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 122.599 0.36 . . . . 75.0 110.657 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . 0.53 HD13 ' CD2' ' B' ' 523' ' ' TYR . 94.0 mt 59.18 8.01 0.99 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.537 1.135 . . . . 75.0 112.422 -177.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 92.3 p -137.61 2.22 2.42 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.311 -0.404 . . . . 50.0 111.268 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -90.22 -59.83 1.44 Allowed Glycine 0 C--N 1.344 0.981 0 CA-C-N 116.431 -0.349 . . . . 75.0 113.206 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -128.66 3.22 5.5 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.893 0.378 . . . . 75.0 111.127 -178.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -94.34 -4.13 49.14 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.632 -0.713 . . . . 75.0 112.138 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -87.5 -9.84 53.41 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.095 -0.957 . . . . 75.0 111.524 -178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . 0.593 ' O ' ' HB3' ' B' ' 538' ' ' ALA . 56.7 m-85 -85.49 -12.82 50.87 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.408 0.623 . . . . 75.0 111.302 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 88.5 p -77.59 -39.03 46.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.981 -1.008 . . . . 75.0 110.965 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 39.9 t -91.26 -56.3 3.2 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.87 -0.605 . . . . 75.0 111.812 177.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 97.1 mt -74.26 -37.15 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 113.22 0.822 . . . . 75.0 113.22 -172.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' B' ' 534' ' ' PHE . . . -81.16 -10.91 59.56 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.081 0.467 . . . . 50.0 112.037 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -104.19 -6.6 20.83 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.032 -0.985 . . . . 75.0 109.512 172.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 54.6 ttm -96.97 -30.87 12.84 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.224 -0.898 . . . . 75.0 110.068 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -89.5 -19.25 25.3 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.22 -0.9 . . . . 50.0 111.782 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -71.11 -26.78 63.18 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.5 0.191 . . . . 75.0 111.076 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.8 p -81.65 -25.69 35.4 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.141 -0.481 . . . . 50.0 111.274 176.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . 0.408 ' CB ' ' HE ' ' A' ' 624' ' ' ARG . . . -81.11 -27.65 35.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.329 177.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.401 HD12 ' CD2' ' A' ' 612' ' ' PHE . 87.1 mt -84.96 -17.9 36.26 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.915 -0.584 . . . . 50.0 111.105 173.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 7.5 mt -78.92 -29.45 44.18 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.668 -0.696 . . . . 75.0 110.702 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.9 p -76.1 -15.72 60.04 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.59 -0.732 . . . . 75.0 111.9 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -73.42 -11.52 60.5 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 112.474 0.546 . . . . 75.0 112.474 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.5 mt -102.54 -32.04 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.02 -0.536 . . . . 50.0 110.644 -177.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 76.5 p -94.17 -38.79 10.89 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.542 -0.299 . . . . 50.0 111.632 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 94.8 p . . . . . 0 C--O 1.248 1.014 0 CA-C-O 117.983 -1.008 . . . . 50.0 110.64 179.845 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.601 -0.199 . . . . 25.0 112.601 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 71.9 t -90.46 144.27 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 109.994 -0.372 . . . . 75.0 109.994 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -92.46 123.4 35.74 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.834 -0.621 . . . . 75.0 111.762 -174.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -129.77 167.84 17.46 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.439 -0.8 . . . . 75.0 110.501 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -79.76 -18.13 73.62 Favored Glycine 0 C--N 1.345 1.051 0 N-CA-C 115.065 0.786 . . . . 50.0 115.065 -172.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 31.9 p-90 -68.98 -34.81 75.91 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 117.495 0.648 . . . . 50.0 112.579 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.87 -13.35 60.9 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.209 0.318 . . . . 50.0 111.408 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -82.55 -25.33 33.45 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.079 0.4 . . . . 75.0 112.079 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -111.39 -25.02 9.85 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.938 0.718 . . . . 50.0 112.938 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 87.3 t -80.81 124.31 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 109.524 -0.547 . . . . 50.0 109.524 177.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.55 ' HG1' ' H ' ' A' ' 599' ' ' LEU . 70.3 p -113.53 -174.76 2.53 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.303 -0.862 . . . . 25.0 111.59 -177.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -71.04 -17.86 62.59 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.366 -0.834 . . . . 75.0 109.851 168.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -81.95 -38.47 25.15 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.735 -0.666 . . . . 75.0 112.069 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.55 ' H ' ' HG1' ' A' ' 596' ' ' THR . 1.4 mt -63.87 -41.26 97.81 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.111 0.411 . . . . 75.0 112.111 175.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -63.9 -22.88 67.12 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 112.195 0.442 . . . . 75.0 112.195 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.8 p -84.34 -33.93 23.76 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.842 0.457 . . . . 75.0 111.969 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 55.9 m170 -77.36 -32.96 55.38 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.842 0.457 . . . . 50.0 111.237 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.447 ' HB3' HD22 ' A' ' 653' ' ' LEU . 61.1 mt -69.26 -25.05 64.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.376 0.671 . . . . 75.0 112.69 173.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 50.6 t -82.92 -27.22 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 123.773 0.829 . . . . 50.0 110.11 173.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.435 ' HA ' HG22 ' A' ' 608' ' ' VAL . 21.6 t-80 -81.41 -17.33 49.28 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.932 -0.576 . . . . 75.0 109.812 170.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -82.65 -19.94 37.24 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.51 -0.768 . . . . 75.0 109.434 174.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.715 HD22 ' HB1' ' A' ' 632' ' ' ALA . 0.1 OUTLIER -83.83 -47.75 10.78 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 114.267 -1.333 . . . . 50.0 110.752 -177.819 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 605' ' ' HIS . 34.7 m -66.34 -23.57 31.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.648 -0.706 . . . . 50.0 111.916 -176.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -80.84 -39.01 27.28 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 122.815 0.446 . . . . 75.0 110.943 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.42 63.45 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.52 -0.763 . . . . 25.0 111.91 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.51 HG12 HG22 ' A' ' 660' ' ' ILE . 96.6 mt -82.91 -44.23 18.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 N-CA-C 109.991 -0.374 . . . . 75.0 109.991 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.532 ' CD2' HD13 ' B' ' 545' ' ' LEU . 87.9 t80 -142.84 115.54 6.11 Favored Pre-proline 0 CA--C 1.547 0.858 0 O-C-N 123.207 0.317 . . . . 50.0 110.225 171.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.1 140.29 27.96 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 121.702 1.601 . . . . 75.0 112.347 174.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 37.7 p -112.1 114.79 50.94 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -63.0 -52.58 2.06 Favored 'Trans proline' 0 C--N 1.37 1.708 0 C-N-CA 123.326 2.684 . . . . 75.0 112.477 166.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -105.52 125.96 32.06 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 114.707 -1.133 . . . . 50.0 111.282 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -61.08 -10.56 15.45 Favored 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 123.134 2.556 . . . . 50.0 114.136 174.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.17 -8.35 56.84 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.72 -13.43 54.05 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.278 -0.419 . . . . 25.0 112.1 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 95.6 mt -82.27 -0.58 46.1 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.347 0.499 . . . . 50.0 112.347 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -106.1 14.76 27.3 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.959 0.409 . . . . 75.0 111.173 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . 0.433 ' OD2' ' HG3' ' B' ' 548' ' ' GLN . 47.4 t0 -87.26 158.61 19.05 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.857 -0.61 . . . . 75.0 111.085 -176.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 54.2 tpt85 -79.12 -39.07 34.55 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.559 -0.746 . . . . 75.0 110.709 -177.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -68.8 -19.66 64.3 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.747 -1.115 . . . . 75.0 111.738 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 57.8 tpp -81.11 -37.08 29.49 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.184 0.594 . . . . 75.0 110.535 177.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -61.51 -21.58 64.35 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.663 0.785 . . . . 75.0 112.405 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.44 -43.54 69.68 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.73 0.641 . . . . 50.0 112.73 -177.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 4.3 mt -86.43 -21.57 27.02 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 121.25 -0.18 . . . . 50.0 111.096 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.2 -33.01 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 109.181 -0.674 . . . . 50.0 109.181 166.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -76.89 -19.08 57.87 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 114.598 -1.183 . . . . 25.0 111.529 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -75.85 -40.88 53.89 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.263 -0.426 . . . . 75.0 110.142 168.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . 0.715 ' HB1' HD22 ' A' ' 607' ' ' LEU . . . -79.77 -28.64 40.36 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.31 -0.405 . . . . 25.0 111.754 -175.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -64.61 -25.63 68.04 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.863 0.465 . . . . 75.0 111.562 177.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -85.79 -34.44 21.12 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.191 -0.913 . . . . 75.0 112.064 -176.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.572 ' O ' ' HG3' ' A' ' 639' ' ' MET . 53.0 t -77.15 -38.22 27.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 N-CA-C 112.632 0.605 . . . . 50.0 112.632 -170.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.622 ' HA ' ' HE3' ' A' ' 639' ' ' MET . 38.2 tp10 -63.44 -37.23 86.47 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.184 0.439 . . . . 50.0 112.184 176.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -81.75 -19.56 65.46 Favored Glycine 0 C--N 1.345 1.035 0 O-C-N 123.477 0.486 . . . . 50.0 113.411 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -84.48 -18.68 35.06 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.593 0.357 . . . . 50.0 111.08 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.622 ' HE3' ' HA ' ' A' ' 636' ' ' GLU . 38.1 mtm -73.36 -26.78 61.16 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.074 0.398 . . . . 75.0 112.074 -178.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -26.11 61.42 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.321 -0.4 . . . . 50.0 111.628 -175.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -88.62 -26.14 22.06 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.161 -0.472 . . . . 75.0 111.761 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 66.4 p -94.1 -34.0 13.14 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.187 0.439 . . . . 50.0 112.187 -176.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -96.22 143.63 27.15 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.412 0.285 . . . . 25.0 111.524 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -105.5 -16.75 14.63 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.903 -0.59 . . . . 75.0 111.683 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 91.6 p -132.27 161.73 32.75 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.072 -0.513 . . . . 50.0 110.557 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.499 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 1.7 ptm180 -74.83 -18.61 60.42 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.011 -0.54 . . . . 75.0 111.901 -176.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 95.5 m-20 -80.91 -26.88 36.46 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.171 0.294 . . . . 50.0 111.59 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -85.66 -44.89 12.2 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.364 0.415 . . . . 75.0 110.022 175.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . 0.465 ' O ' ' SD ' ' A' ' 639' ' ' MET . 80.7 t80 -52.14 -52.35 52.23 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.537 0.735 . . . . 75.0 111.489 176.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' A' ' 646' ' ' ARG . 23.1 m-85 -72.19 -16.32 61.96 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.001 0.741 . . . . 75.0 113.001 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 0.1 OUTLIER -84.34 -36.32 22.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 122.376 0.27 . . . . 50.0 111.01 178.844 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.32 -39.24 89.78 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.951 0.9 . . . . 50.0 112.514 176.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.584 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 6.3 tp -77.83 -29.87 50.78 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.879 -0.6 . . . . 75.0 112.411 177.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -81.73 -25.8 35.09 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -75.32 -32.91 61.08 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.147 0.425 . . . . 75.0 112.147 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -67.96 -29.81 68.95 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.472 -0.566 . . . . 75.0 109.472 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 5.1 mt -71.48 -37.78 65.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-N 115.554 -0.748 . . . . 50.0 110.891 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -82.93 -27.37 30.64 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.93 0.395 . . . . 75.0 110.428 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -77.39 -33.44 55.09 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.324 -0.853 . . . . 50.0 112.199 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.51 HG22 HG12 ' A' ' 611' ' ' ILE . 77.7 mt -77.7 -30.12 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 109.958 -0.386 . . . . 50.0 109.958 177.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -63.2 -19.64 64.7 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.804 -0.634 . . . . 50.0 112.157 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -75.28 -43.62 50.19 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.175 0.435 . . . . 75.0 112.175 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -65.65 -34.19 77.64 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.168 0.587 . . . . 50.0 112.385 -175.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.55 -23.3 67.33 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.84 -0.618 . . . . 50.0 112.216 174.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -86.05 -17.64 34.64 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.452 0.301 . . . . 75.0 111.809 175.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -75.84 -27.11 57.72 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.531 0.332 . . . . 50.0 111.385 176.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -86.52 -19.56 29.32 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.149 -0.478 . . . . 75.0 111.477 176.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -87.39 -30.08 21.01 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.818 -0.628 . . . . 75.0 111.577 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -86.9 -23.73 25.1 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.267 0.354 . . . . 75.0 111.737 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 79.1 p -98.47 -28.99 13.36 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.334 -0.394 . . . . 50.0 111.215 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 67.49 -1.14 1.66 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.574 1.149 . . . . 75.0 112.816 178.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 C--O 1.253 1.261 0 CA-C-O 118.687 -0.673 . . . . 50.0 110.749 178.357 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 112.466 -0.254 . . . . 25.0 112.466 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 56.2 m -110.29 128.68 24.96 Favored Pre-proline 0 CA--C 1.543 0.679 0 O-C-N 123.688 0.287 . . . . 50.0 110.699 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -72.69 -19.75 23.84 Favored 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 122.441 2.094 . . . . 75.0 113.939 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 134.08 106.72 0.94 Allowed Glycine 0 C--N 1.34 0.777 0 C-N-CA 121.456 -0.402 . . . . 50.0 112.654 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -111.23 96.24 29.71 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 110.242 -0.281 . . . . 50.0 110.242 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -82.59 137.16 8.91 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 122.272 1.981 . . . . 75.0 113.469 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 61.67 128.72 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.24 1.016 . . . . 50.0 112.667 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 121.11 98.31 1.59 Allowed Glycine 0 C--N 1.338 0.661 0 CA-C-N 115.667 -0.697 . . . . 50.0 112.83 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 63.5 tp -101.76 -83.43 0.46 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.935 0.397 . . . . 75.0 110.056 177.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 91.8 mt -110.21 -35.75 6.01 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.175 -0.921 . . . . 50.0 108.927 172.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 78.1 p -134.95 -18.81 1.81 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-N 113.95 -1.477 . . . . 50.0 109.745 172.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 110.01 92.89 2.2 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-N 115.411 -0.813 . . . . 50.0 112.45 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 -135.6 33.12 3.0 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.447 0.641 . . . . 50.0 109.941 -178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -108.17 -3.51 18.48 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.429 -0.805 . . . . 75.0 112.555 -177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -77.83 -23.91 48.83 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.345 -0.843 . . . . 75.0 112.519 -173.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -87.58 -12.14 46.57 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.72 0.295 . . . . 75.0 111.766 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 84.6 p -65.92 -23.46 66.63 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.745 -0.661 . . . . 50.0 112.078 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 79.0 p -87.03 -18.51 30.44 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.027 -0.533 . . . . 50.0 111.262 174.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 95.4 mt -87.06 -32.62 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 115.895 -0.593 . . . . 50.0 110.825 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.63 -11.27 59.17 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.771 0.656 . . . . 50.0 112.771 -177.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -97.6 -16.07 20.19 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.412 -0.813 . . . . 75.0 109.731 175.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 96.3 mmm -91.03 -26.64 19.09 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.312 -0.858 . . . . 50.0 110.743 173.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -89.13 -20.08 24.72 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.391 -0.822 . . . . 50.0 111.539 -178.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -75.53 -28.92 59.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.14 0.176 . . . . 75.0 111.379 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 76.3 p -81.74 -22.88 37.04 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.737 0.415 . . . . 50.0 111.855 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.18 -22.5 30.93 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.351 -0.386 . . . . 25.0 112.01 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.532 HD13 ' CD2' ' A' ' 612' ' ' PHE . 89.3 mt -83.54 -15.38 49.52 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.381 0.512 . . . . 50.0 112.381 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 84.4 mt -80.51 -32.66 36.85 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.874 0.369 . . . . 50.0 110.954 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.8 p -75.78 -16.41 60.11 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.417 -0.811 . . . . 75.0 111.984 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 89.4 mm-40 -81.71 -25.3 35.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.255 -0.43 . . . . 75.0 112.002 -178.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 43.9 pt -103.05 -20.26 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 115.37 -0.832 . . . . 75.0 112.216 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 91.6 p -94.21 -34.31 12.94 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.229 0.331 . . . . 50.0 111.411 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--O 1.249 1.036 0 CA-C-O 117.988 -1.006 . . . . 50.0 110.614 179.493 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.475 -0.25 . . . . 25.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 83.6 t -90.5 129.6 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 122.505 0.322 . . . . 75.0 110.166 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -91.51 127.63 37.03 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.71 -0.677 . . . . 50.0 110.915 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -110.08 -176.4 2.99 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.886 -0.597 . . . . 75.0 110.991 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -64.83 -37.77 94.73 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 113.972 0.349 . . . . 50.0 113.972 -177.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . 0.404 ' O ' HG21 ' A' ' 595' ' ' VAL . 64.3 p-90 -68.11 -35.4 78.07 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.102 0.561 . . . . 50.0 112.482 -177.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -68.62 -33.94 74.9 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 122.803 0.441 . . . . 50.0 111.594 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -87.06 -12.35 47.54 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 122.854 0.462 . . . . 75.0 110.805 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -97.39 -26.85 14.72 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.953 -0.567 . . . . 75.0 111.525 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.404 HG21 ' O ' ' A' ' 591' ' ' TRP . 86.0 t -88.01 127.38 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.478 -0.564 . . . . 50.0 109.478 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 80.3 p -110.34 179.47 4.08 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.967 -177.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -69.29 -20.66 63.9 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.886 -1.052 . . . . 50.0 109.807 167.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -83.29 -32.76 26.19 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 116.005 -0.543 . . . . 75.0 111.943 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 1.4 mt -68.79 -44.37 73.74 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 111.818 0.303 . . . . 75.0 111.818 174.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.87 ' HD2' ' HH ' ' A' ' 640' ' ' TYR . 39.0 mtp180 -62.63 -22.98 66.83 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.234 0.457 . . . . 75.0 112.234 -176.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.9 p -84.42 -34.13 23.56 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 122.706 0.403 . . . . 75.0 111.719 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -77.6 -32.85 53.84 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.843 0.457 . . . . 50.0 111.124 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.472 HD13 ' HE2' ' A' ' 650' ' ' TYR . 61.0 mt -69.8 -25.86 63.99 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.803 0.668 . . . . 75.0 112.803 173.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.658 ' HA ' HD13 ' A' ' 607' ' ' LEU . 28.0 t -82.81 -23.94 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 123.468 0.707 . . . . 50.0 109.847 173.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -84.05 -17.73 39.36 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.845 -0.616 . . . . 50.0 109.704 169.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -82.06 -19.95 39.25 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.257 -0.883 . . . . 75.0 109.258 175.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.658 HD13 ' HA ' ' A' ' 604' ' ' VAL . 0.3 OUTLIER -85.91 -50.7 6.89 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 114.179 -1.373 . . . . 50.0 111.097 -176.383 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.28 -26.08 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-N 115.627 -0.715 . . . . 50.0 111.72 -176.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -82.21 -27.84 32.33 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.491 0.186 . . . . 75.0 111.349 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -80.32 -33.21 37.69 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.388 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.514 HG12 HG22 ' A' ' 660' ' ' ILE . 95.1 mt -78.15 -47.91 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 116.076 -0.511 . . . . 75.0 110.09 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.479 ' CD2' HD11 ' B' ' 545' ' ' LEU . 86.4 t80 -143.85 111.13 5.24 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 122.574 0.35 . . . . 50.0 110.108 172.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.81 137.9 60.78 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.364 2.043 . . . . 50.0 112.267 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 60.6 p -98.62 114.41 65.32 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 112.821 0.674 . . . . 25.0 112.821 -175.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -68.7 -50.53 0.61 Allowed 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 123.157 2.571 . . . . 75.0 112.069 166.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -105.26 129.95 23.91 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 114.81 -1.086 . . . . 75.0 111.759 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.04 -16.4 44.89 Favored 'Trans proline' 0 C--N 1.367 1.501 0 C-N-CA 123.552 2.835 . . . . 50.0 114.007 176.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -85.76 -12.78 50.16 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.39 -9.12 46.14 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.456 0.539 . . . . 25.0 112.456 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 51.9 mt -82.33 -5.71 58.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 122.805 0.442 . . . . 75.0 112.162 -176.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.61 14.58 31.58 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.145 0.498 . . . . 75.0 110.391 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -86.63 153.37 21.82 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.609 -0.723 . . . . 75.0 110.812 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -75.49 -47.9 25.0 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.272 -0.876 . . . . 75.0 111.647 -177.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -65.04 -21.1 66.78 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.01 0.524 . . . . 50.0 112.381 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 27.5 tpp -77.44 -41.67 38.85 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 122.821 0.449 . . . . 75.0 110.531 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.96 -19.68 65.95 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.656 0.613 . . . . 50.0 112.656 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -65.86 -40.92 92.14 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 122.887 0.475 . . . . 50.0 111.763 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 88.2 mt -86.53 -22.99 26.04 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 122.961 0.163 . . . . 50.0 110.858 177.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.423 ' O ' ' HG3' ' A' ' 633' ' ' LYS . 6.0 t -54.79 -39.83 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 108.913 -0.773 . . . . 50.0 108.913 168.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -70.0 -19.19 63.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 114.548 -1.205 . . . . 25.0 111.682 176.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . 0.424 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 11.0 t80 -76.65 -39.21 52.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.23 -0.441 . . . . 75.0 110.002 168.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . 0.478 ' HB3' HD12 ' A' ' 607' ' ' LEU . . . -78.35 -31.18 48.44 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.286 -0.416 . . . . 25.0 112.05 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 629' ' ' VAL . 93.7 mttt -66.02 -24.07 66.68 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.007 0.432 . . . . 75.0 110.923 177.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -85.39 -35.24 21.47 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.205 -0.907 . . . . 75.0 112.048 -175.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.53 ' O ' ' HG3' ' A' ' 639' ' ' MET . 35.2 m -75.11 -21.94 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 112.802 0.667 . . . . 50.0 112.802 -172.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.754 ' HA ' ' HE2' ' A' ' 639' ' ' MET . 25.9 pt-20 -70.7 -31.1 67.86 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.325 0.25 . . . . 50.0 111.288 177.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . 0.62 ' HA2' ' HD1' ' A' ' 640' ' ' TYR . . . -84.44 -34.35 16.99 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 116.111 -0.495 . . . . 50.0 113.884 -175.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -72.69 -19.18 61.46 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.897 0.38 . . . . 75.0 111.345 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.754 ' HE2' ' HA ' ' A' ' 636' ' ' GLU . 15.4 mtm -75.26 -23.1 57.43 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.521 -0.763 . . . . 75.0 112.118 176.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.87 ' HH ' ' HD2' ' A' ' 600' ' ' ARG . 29.4 m-85 -74.96 -29.44 60.92 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.985 -0.552 . . . . 50.0 111.747 -176.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -88.47 -22.05 23.88 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.154 -0.475 . . . . 75.0 111.832 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 78.4 p -96.18 -38.18 10.25 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.331 -0.395 . . . . 75.0 112.01 -176.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -91.33 147.13 23.26 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.722 0.296 . . . . 25.0 111.681 -177.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -118.01 -15.93 9.89 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.742 -0.663 . . . . 50.0 111.097 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 88.5 p -131.82 -178.79 5.04 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.761 -0.2 . . . . 50.0 111.343 -176.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -79.45 -32.98 42.79 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.306 0.484 . . . . 75.0 112.306 -178.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -80.5 -22.12 41.27 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.108 0.411 . . . . 75.0 112.108 -174.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -86.58 -45.95 10.57 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.999 -0.371 . . . . 75.0 109.999 177.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . 0.536 ' CE1' ' HE1' ' A' ' 639' ' ' MET . 88.2 t80 -55.28 -52.94 61.81 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.358 0.663 . . . . 75.0 111.72 178.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.472 ' HE2' HD13 ' A' ' 603' ' ' LEU . 11.0 m-85 -71.27 -19.78 62.3 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.062 0.764 . . . . 75.0 113.062 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -84.88 -34.07 22.67 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.441 0.162 . . . . 75.0 111.272 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.67 -40.91 98.0 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.369 0.667 . . . . 50.0 112.288 174.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.64 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 1.2 tp -73.64 -25.56 60.35 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.866 -0.606 . . . . 75.0 112.449 174.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -84.12 -27.16 28.37 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.107 0.41 . . . . 25.0 112.107 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -74.62 -31.79 62.1 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.098 0.407 . . . . 75.0 112.098 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -68.02 -29.83 68.93 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.114 -0.699 . . . . 75.0 109.114 171.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 27.6 mt -69.84 -31.0 46.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 114.9 -1.045 . . . . 50.0 110.777 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -85.39 -33.52 21.96 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.472 -0.331 . . . . 75.0 111.165 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.25 -37.4 69.12 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.108 0.41 . . . . 75.0 112.108 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.514 HG22 HG12 ' A' ' 611' ' ' ILE . 81.8 mt -69.69 -30.56 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 123.439 0.462 . . . . 50.0 109.974 177.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -70.63 -19.93 62.77 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.405 -0.816 . . . . 50.0 111.999 173.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -80.46 -38.03 30.78 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.854 0.462 . . . . 75.0 111.822 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.83 -44.95 79.79 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.689 0.796 . . . . 75.0 111.802 -176.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.427 ' HA ' ' HD3' ' A' ' 667' ' ' LYS . 76.0 mt -69.98 -19.51 63.35 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.989 -0.551 . . . . 50.0 112.212 177.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.43 -16.93 61.83 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 122.74 0.416 . . . . 75.0 111.061 177.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -68.77 -21.53 64.34 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.26 -0.427 . . . . 50.0 111.221 174.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.427 ' HD3' ' HA ' ' A' ' 664' ' ' LEU . 4.8 mptt -82.84 -18.11 41.55 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.749 -0.66 . . . . 75.0 110.505 173.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -86.68 -25.14 24.97 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.565 -0.743 . . . . 50.0 111.288 -178.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.61 -6.78 54.2 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.275 0.472 . . . . 75.0 112.275 -176.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 83.8 p -83.16 -6.83 59.62 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.216 0.45 . . . . 50.0 112.216 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -96.99 -4.36 39.94 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.68 0.276 . . . . 75.0 111.395 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.772 -0.632 . . . . 75.0 110.736 179.719 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.448 -0.261 . . . . 25.0 112.448 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 28.2 t 62.59 123.37 0.02 OUTLIER Pre-proline 0 N--CA 1.485 1.317 0 C-N-CA 124.235 1.014 . . . . 50.0 112.023 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -73.46 144.16 35.82 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.346 2.031 . . . . 75.0 113.476 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 152.41 -171.36 31.63 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.864 -0.607 . . . . 50.0 112.748 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -115.14 97.93 49.22 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 122.321 0.248 . . . . 50.0 110.765 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -68.49 -40.75 7.35 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.66 2.24 . . . . 75.0 113.04 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -128.33 130.59 48.01 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 123.463 0.477 . . . . 50.0 109.996 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -129.73 103.37 0.58 Allowed Glycine 0 C--N 1.337 0.635 0 CA-C-N 115.988 -0.551 . . . . 50.0 112.6 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.02 32.83 5.57 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.084 0.469 . . . . 50.0 111.556 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 86.6 mt -80.22 4.22 18.28 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.999 -0.546 . . . . 75.0 111.569 -178.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 86.2 p -134.14 -46.77 0.78 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.319 -0.4 . . . . 50.0 111.18 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 91.28 3.88 69.11 Favored Glycine 0 C--N 1.343 0.936 0 CA-C-N 116.117 -0.492 . . . . 50.0 113.93 176.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -121.68 -6.6 9.14 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.812 0.339 . . . . 50.0 111.883 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -115.34 -4.46 12.37 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.669 -0.696 . . . . 75.0 112.548 -176.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.16 -50.16 5.99 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.802 -0.635 . . . . 75.0 111.625 -175.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -88.41 -11.8 45.03 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.627 0.251 . . . . 75.0 111.293 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 77.1 p -67.61 -23.7 65.4 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.787 -0.642 . . . . 75.0 111.299 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 83.8 p -78.18 -28.76 48.25 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.748 -0.66 . . . . 75.0 110.69 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 95.4 mt -87.19 -32.32 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 115.29 -0.868 . . . . 50.0 111.272 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.77 -11.91 58.8 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.24 0.83 . . . . 50.0 113.24 -174.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -100.99 -11.16 19.91 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.576 -0.738 . . . . 75.0 109.726 175.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 93.3 mmm -93.29 -27.89 16.54 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.254 -0.885 . . . . 50.0 110.761 172.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -90.77 -19.67 23.24 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.624 -0.716 . . . . 50.0 111.68 -177.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -72.49 -29.27 63.49 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.541 0.21 . . . . 75.0 110.882 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.8 p -81.91 -23.31 36.31 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.945 -0.571 . . . . 50.0 111.209 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -80.13 -31.2 39.1 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.243 -0.435 . . . . 25.0 111.564 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.479 HD11 ' CD2' ' A' ' 612' ' ' PHE . 96.7 mt -82.41 -18.09 43.15 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.008 -0.542 . . . . 50.0 111.276 175.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 16.5 mt -87.1 -28.64 22.39 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.604 -0.726 . . . . 75.0 110.924 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.5 p -76.37 -20.84 56.78 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.95 -0.568 . . . . 75.0 112.262 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -91.27 -13.83 31.99 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.767 0.655 . . . . 75.0 112.767 -176.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 38.5 mt -104.89 -29.93 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 112.287 0.477 . . . . 50.0 112.287 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 96.8 p -105.13 -41.52 5.54 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.216 0.323 . . . . 50.0 111.484 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 44.8 m . . . . . 0 N--CA 1.483 1.218 0 C-N-CA 123.943 0.897 . . . . 50.0 112.179 -179.338 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 112.574 -0.21 . . . . 25.0 112.574 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 90.2 t -90.29 137.61 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 110.058 -0.349 . . . . 75.0 110.058 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -91.2 136.53 33.03 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.781 -0.645 . . . . 75.0 111.237 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -113.56 -174.52 2.48 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.738 -0.664 . . . . 75.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -62.63 -35.6 92.08 Favored Glycine 0 C--N 1.347 1.151 0 N-CA-C 114.176 0.43 . . . . 50.0 114.176 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 60.2 p-90 -70.19 -33.3 71.55 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.002 0.521 . . . . 50.0 112.361 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -62.99 -36.68 84.35 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.305 0.642 . . . . 50.0 112.207 -177.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -91.05 -4.97 55.91 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 122.824 0.45 . . . . 50.0 110.937 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -104.97 -26.14 12.29 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.934 -0.576 . . . . 75.0 111.728 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 39.6 t -78.43 129.66 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 120.925 0.393 . . . . 50.0 110.317 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 66.6 p -111.27 -175.88 2.81 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.336 -0.847 . . . . 25.0 111.565 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -77.66 -17.36 57.79 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.644 -0.707 . . . . 75.0 109.758 168.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -77.69 -30.68 52.01 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 115.77 -0.65 . . . . 75.0 111.635 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 55.7 tp -63.95 -44.92 91.36 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 112.248 0.462 . . . . 75.0 112.248 174.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.404 ' O ' ' OE1' ' A' ' 636' ' ' GLU . 99.8 mtt180 -64.74 -25.73 68.06 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 111.951 0.352 . . . . 75.0 111.951 -177.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 69.9 p -84.63 -31.11 24.4 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.141 -0.481 . . . . 75.0 111.507 177.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -80.61 -19.98 44.25 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.92 0.488 . . . . 50.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.584 ' HA ' ' HB2' ' A' ' 606' ' ' LYS . 52.3 mt -83.32 -36.54 24.34 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.916 -0.583 . . . . 75.0 110.908 177.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.404 HG22 ' OE1' ' A' ' 636' ' ' GLU . 2.8 t -68.2 -30.78 49.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 124.109 0.964 . . . . 50.0 110.35 169.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -80.06 -17.34 52.98 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.849 -0.614 . . . . 50.0 110.053 173.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.584 ' HB2' ' HA ' ' A' ' 603' ' ' LEU . 20.2 mttt -82.78 -21.8 34.48 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.376 -0.829 . . . . 75.0 109.346 173.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.62 ' CD1' ' HB1' ' A' ' 632' ' ' ALA . 0.3 OUTLIER -86.35 -54.46 4.42 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.417 -1.265 . . . . 50.0 111.645 -176.124 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.33 -30.34 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.147 0.579 . . . . 50.0 111.913 -174.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -79.13 -34.11 43.66 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.979 0.419 . . . . 75.0 110.684 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -73.24 -36.13 66.37 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.037 -0.983 . . . . 25.0 111.802 177.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 84.4 mt -78.29 -52.38 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 CA-C-N 116.357 -0.383 . . . . 75.0 110.032 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.652 ' CD2' HD13 ' B' ' 545' ' ' LEU . 89.9 t80 -138.6 105.82 7.65 Favored Pre-proline 0 CA--C 1.548 0.901 0 O-C-N 123.121 0.263 . . . . 50.0 110.329 172.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -68.12 135.31 34.24 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.336 2.024 . . . . 50.0 112.16 173.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 60.7 p -102.03 113.55 65.82 Favored Pre-proline 0 CA--C 1.536 0.42 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -63.94 -49.79 3.64 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 123.254 2.636 . . . . 75.0 112.361 168.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -106.85 121.7 44.07 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 114.907 -1.042 . . . . 50.0 111.073 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -61.47 -10.4 16.09 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 123.068 2.512 . . . . 50.0 114.318 176.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -78.25 -8.25 58.13 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.507 0.558 . . . . 25.0 112.507 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -85.15 -9.08 58.27 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.263 0.468 . . . . 25.0 112.263 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 59.3 mt -82.2 1.7 35.19 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.427 0.529 . . . . 50.0 112.427 -175.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.42 14.43 30.12 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 121.076 0.465 . . . . 75.0 110.532 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -90.48 154.47 19.62 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.781 -0.645 . . . . 75.0 110.72 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -79.55 -33.94 41.43 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.421 -0.809 . . . . 75.0 110.8 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.417 ' HD3' ' HB1' ' B' ' 544' ' ' ALA . 91.4 mtt-85 -70.67 -20.05 62.73 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 114.672 -1.149 . . . . 75.0 111.68 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 53.2 tpp -82.38 -37.95 24.87 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 122.92 0.488 . . . . 75.0 110.382 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.2 -21.17 66.04 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.578 0.751 . . . . 75.0 111.983 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -69.17 -43.08 74.97 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 112.458 0.54 . . . . 50.0 112.458 -176.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.518 HD23 ' CD2' ' A' ' 631' ' ' TYR . 0.5 OUTLIER -86.36 -21.95 26.93 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.476 0.179 . . . . 50.0 111.184 179.597 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 16.6 t -55.86 -32.32 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 N-CA-C 109.349 -0.612 . . . . 50.0 109.349 167.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -81.36 -19.01 43.62 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.573 -1.194 . . . . 25.0 111.467 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . 0.518 ' CD2' HD23 ' A' ' 628' ' ' LEU . 20.3 m-30 -77.56 -38.38 48.66 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.024 -0.534 . . . . 75.0 110.502 171.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . 0.62 ' HB1' ' CD1' ' A' ' 607' ' ' LEU . . . -80.12 -40.68 26.96 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.024 -0.535 . . . . 25.0 111.476 -176.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -53.16 -25.35 13.27 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.371 0.878 . . . . 75.0 113.371 -173.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.434 ' HE3' ' OD1' ' A' ' 638' ' ' ASP . 55.1 tptt -85.56 -35.57 20.99 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.955 0.502 . . . . 75.0 111.91 -177.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.632 ' O ' ' HG3' ' A' ' 639' ' ' MET . 9.7 m -71.21 -21.65 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 N-CA-C 113.455 0.909 . . . . 50.0 113.455 -163.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.453 ' HA ' ' HE1' ' A' ' 639' ' ' MET . 4.1 pt-20 -68.76 -41.52 78.76 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 122.637 0.375 . . . . 75.0 111.378 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -78.72 -21.72 68.26 Favored Glycine 0 C--N 1.347 1.174 0 CA-C-N 115.928 -0.578 . . . . 50.0 113.773 -176.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . 0.434 ' OD1' ' HE3' ' A' ' 634' ' ' LYS . 94.8 m-20 -78.6 -18.94 53.79 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 122.439 0.295 . . . . 75.0 111.302 176.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.632 ' HG3' ' O ' ' A' ' 635' ' ' VAL . 27.8 mtm -76.69 -20.74 56.28 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.243 -0.435 . . . . 75.0 111.501 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.566 ' CD2' ' C ' ' A' ' 640' ' ' TYR . 0.5 OUTLIER -73.43 -31.3 63.76 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.749 -0.66 . . . . 50.0 111.585 -176.762 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -88.52 -21.49 24.11 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.102 -0.499 . . . . 75.0 111.999 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 67.2 p -96.02 -36.19 11.12 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.257 0.466 . . . . 50.0 112.257 -176.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.6 142.36 27.9 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -178.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -107.52 -20.68 13.17 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.672 -0.695 . . . . 50.0 110.752 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.2 p -131.68 156.12 46.44 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.19 -0.459 . . . . 50.0 110.007 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -74.26 -18.61 60.7 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.069 -0.514 . . . . 75.0 112.175 -173.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -81.21 -23.09 38.36 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.212 0.32 . . . . 75.0 110.645 175.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -86.55 -43.09 12.98 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.096 -0.502 . . . . 75.0 109.817 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -50.34 -57.77 7.18 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.985 0.914 . . . . 75.0 111.599 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -63.33 -15.18 56.54 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.06 0.763 . . . . 75.0 113.06 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -22.94 33.46 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.105 0.409 . . . . 50.0 112.105 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 86.8 mt -70.93 -45.42 64.24 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 112.183 0.438 . . . . 75.0 112.183 177.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.539 HD13 HD11 ' A' ' 607' ' ' LEU . 0.3 OUTLIER -68.42 -30.03 68.83 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 112.023 0.379 . . . . 75.0 112.023 177.478 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -78.68 -29.74 45.77 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.461 0.541 . . . . 25.0 112.461 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -76.96 -30.25 55.92 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.241 0.46 . . . . 75.0 112.241 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -71.57 -27.46 63.17 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.032 -0.729 . . . . 75.0 109.032 171.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 12.1 mt -72.22 -29.81 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 114.864 -1.062 . . . . 50.0 110.904 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -80.84 -36.78 31.04 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 123.074 0.234 . . . . 75.0 110.685 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -69.93 -34.72 73.84 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.891 0.476 . . . . 75.0 112.139 -178.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 69.4 mt -78.16 -35.32 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-N 116.132 -0.486 . . . . 50.0 110.159 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -69.96 -22.84 63.13 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.997 -0.547 . . . . 50.0 112.237 175.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -71.55 -28.81 64.11 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.522 0.564 . . . . 75.0 112.522 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.9 -43.77 24.15 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 123.248 0.619 . . . . 75.0 111.166 -178.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.86 -19.65 64.25 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.789 0.663 . . . . 50.0 112.789 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -75.89 -17.43 59.79 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.429 0.292 . . . . 50.0 111.665 176.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.71 -20.89 60.4 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.26 -0.427 . . . . 50.0 111.061 174.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -85.22 -18.06 35.17 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.879 -0.601 . . . . 75.0 110.665 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -86.93 -16.56 35.54 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.711 -0.677 . . . . 75.0 111.699 -177.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -87.84 -11.19 48.58 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.146 0.279 . . . . 75.0 111.38 -178.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 83.8 p -82.56 -10.37 59.01 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.137 0.421 . . . . 75.0 112.137 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -94.32 -4.55 48.45 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.465 -0.334 . . . . 75.0 111.365 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 C--O 1.25 1.116 0 CA-C-O 117.953 -1.022 . . . . 50.0 110.869 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.471 -0.252 . . . . 25.0 112.471 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 31.4 t -108.4 134.28 20.28 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-O 119.514 -0.279 . . . . 50.0 110.794 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -71.58 136.16 27.73 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.463 2.109 . . . . 75.0 113.55 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 145.53 127.77 1.95 Allowed Glycine 0 C--N 1.338 0.676 0 CA-C-N 115.905 -0.589 . . . . 50.0 112.815 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 62.1 t80 58.96 100.01 0.04 OUTLIER Pre-proline 0 N--CA 1.484 1.249 0 C-N-CA 124.146 0.978 . . . . 50.0 111.881 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.31 145.85 73.38 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.65 2.233 . . . . 75.0 113.074 177.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -124.97 126.58 45.7 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.866 -0.606 . . . . 50.0 110.167 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -179.41 123.12 0.83 Allowed Glycine 0 C--N 1.338 0.668 0 CA-C-N 116.045 -0.525 . . . . 50.0 112.735 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 85.1 mt -118.91 -47.17 2.51 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.363 0.602 . . . . 75.0 110.116 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 97.9 mt -90.91 -21.17 21.52 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.379 -1.282 . . . . 50.0 109.761 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 57.8 m -132.27 79.82 1.88 Allowed 'General case' 0 C--O 1.239 0.535 0 CA-C-N 114.871 -1.059 . . . . 50.0 110.056 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -132.17 -44.29 0.15 Allowed Glycine 0 C--N 1.338 0.641 0 CA-C-N 115.487 -0.778 . . . . 75.0 112.952 -177.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -123.57 -10.08 7.91 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.006 0.431 . . . . 75.0 111.063 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -97.72 -5.24 35.53 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.399 -0.819 . . . . 75.0 111.802 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.42 -10.18 41.95 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.843 -1.071 . . . . 75.0 111.214 -178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -80.65 -10.26 59.74 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.188 0.518 . . . . 50.0 112.216 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 87.2 p -62.41 -25.47 67.97 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.87 -1.059 . . . . 50.0 111.538 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 85.0 p -90.26 -30.18 17.69 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.744 -0.662 . . . . 50.0 112.311 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 66.5 mt -86.85 -33.68 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 123.204 0.315 . . . . 50.0 111.602 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.2 -11.46 59.41 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.604 0.594 . . . . 50.0 112.604 -176.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -102.24 -6.03 23.63 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.341 -0.845 . . . . 75.0 109.647 173.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 56.0 ttm -95.92 -36.17 11.18 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.134 -0.939 . . . . 75.0 109.608 175.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -84.01 -24.06 30.69 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.52 -0.764 . . . . 50.0 112.626 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -68.03 -26.49 65.9 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 120.64 0.257 . . . . 75.0 111.093 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.7 p -82.13 -24.75 34.92 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.835 -0.621 . . . . 50.0 111.324 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . 0.417 ' HB1' ' HD3' ' A' ' 624' ' ' ARG . . . -84.32 -22.77 30.52 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.243 -0.435 . . . . 25.0 112.07 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.652 HD13 ' CD2' ' A' ' 612' ' ' PHE . 94.0 mt -77.5 -25.94 50.78 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.242 0.46 . . . . 75.0 112.242 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.52 -29.05 21.62 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.403 -0.362 . . . . 50.0 111.185 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.6 p -75.39 -17.01 60.31 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.514 -0.766 . . . . 75.0 112.796 -178.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -88.82 -11.2 45.5 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.51 0.559 . . . . 75.0 112.51 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.0 mt -102.75 -31.75 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 116.021 -0.536 . . . . 50.0 110.459 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 67.1 p -95.36 -37.25 11.04 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.29 0.369 . . . . 50.0 111.493 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.737 -0.649 . . . . 50.0 110.887 -179.828 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.451 -0.26 . . . . 25.0 112.451 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 63.6 t -90.21 136.21 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 110.061 -0.348 . . . . 75.0 110.061 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -91.29 131.6 36.69 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.78 -0.646 . . . . 50.0 111.226 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -112.37 165.05 12.55 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.677 -0.692 . . . . 75.0 110.427 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -70.31 -18.05 74.77 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 115.15 0.82 . . . . 50.0 115.15 -171.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -68.04 -38.04 82.06 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.578 0.584 . . . . 50.0 112.578 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -72.85 -13.05 61.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 122.325 0.25 . . . . 50.0 111.397 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -82.63 -22.28 34.76 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.36 -0.382 . . . . 50.0 111.99 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -115.76 -22.12 9.29 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.04 0.755 . . . . 50.0 113.04 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 77.3 t -81.81 126.36 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 120.961 0.41 . . . . 50.0 110.4 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 48.1 p -112.31 -174.31 2.43 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.128 -0.942 . . . . 25.0 111.351 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -72.54 -18.62 61.62 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.59 -0.732 . . . . 75.0 109.865 169.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -82.0 -33.45 30.11 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 115.756 -0.656 . . . . 50.0 111.484 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.457 HD21 ' OH ' ' A' ' 650' ' ' TYR . 32.5 tp -64.36 -48.14 76.65 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 117.673 0.215 . . . . 75.0 111.189 173.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.491 ' HG2' ' OE2' ' A' ' 636' ' ' GLU . 81.6 mtp180 -55.0 -28.3 50.98 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.02 0.528 . . . . 75.0 111.978 -176.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.8 p -82.17 -31.56 30.4 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.462 -0.79 . . . . 75.0 111.566 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -81.09 -27.13 35.75 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.69 0.396 . . . . 50.0 110.673 177.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 21.9 mt -67.01 -31.89 72.73 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.837 0.855 . . . . 50.0 110.569 172.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 28.0 t -83.48 -32.34 9.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 114.945 -1.025 . . . . 50.0 110.917 176.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.456 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 80.4 t60 -76.28 -16.8 59.71 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.231 0.332 . . . . 50.0 110.694 176.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -85.11 -26.2 27.05 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 122.135 0.969 . . . . 75.0 108.656 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 47.3 tp -87.18 -40.56 14.48 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 113.066 -1.879 . . . . 75.0 111.509 -176.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 77.7 t -76.66 -23.94 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.178 0.591 . . . . 50.0 111.322 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 97.0 mm-40 -80.27 -27.52 38.58 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.761 0.315 . . . . 75.0 110.939 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -74.67 -30.78 61.71 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.591 -0.731 . . . . 25.0 111.371 175.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.483 HG12 HG23 ' A' ' 660' ' ' ILE . 75.9 mt -83.19 -53.95 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-N 116.09 -0.505 . . . . 75.0 109.691 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.401 ' HE2' ' HB ' ' A' ' 614' ' ' THR . 25.0 t80 -139.54 104.37 7.05 Favored Pre-proline 0 CA--C 1.548 0.878 0 O-C-N 123.086 0.241 . . . . 50.0 110.568 171.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.53 131.5 9.46 Favored 'Trans proline' 0 C--N 1.373 1.868 0 C-N-CA 122.479 2.12 . . . . 75.0 112.825 175.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.401 ' HB ' ' HE2' ' A' ' 612' ' ' PHE . 7.9 t -151.04 126.87 4.97 Favored Pre-proline 0 CA--C 1.545 0.773 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -53.18 -50.13 15.09 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 123.798 2.999 . . . . 75.0 113.981 170.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -71.14 116.07 42.99 Favored Pre-proline 0 N--CA 1.473 0.694 0 CA-C-N 115.453 -0.794 . . . . 50.0 112.288 -177.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.25 -10.54 29.0 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.719 2.28 . . . . 50.0 113.791 173.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -74.31 -10.14 59.29 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.753 0.649 . . . . 25.0 112.753 -176.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.18 -14.98 52.32 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 122.517 0.327 . . . . 25.0 111.68 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 72.4 mt -87.31 -0.27 56.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.875 -0.602 . . . . 75.0 112.012 -177.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -106.18 14.32 27.77 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.104 0.478 . . . . 50.0 110.595 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -87.66 159.82 18.37 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.805 -0.634 . . . . 75.0 110.898 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -73.26 -50.82 20.2 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.824 -0.625 . . . . 75.0 111.323 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -57.92 -30.63 66.08 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.453 0.701 . . . . 50.0 112.591 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.633 ' N ' HD23 ' B' ' 545' ' ' LEU . 50.5 tpp -81.46 -36.25 29.59 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.065 -0.516 . . . . 75.0 111.597 -177.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.78 -21.38 63.01 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 112.572 0.582 . . . . 75.0 112.572 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -76.72 -25.2 53.28 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 120.718 0.294 . . . . 50.0 111.361 175.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 631' ' ' TYR . 79.5 mt -86.04 -42.15 14.21 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.834 -0.621 . . . . 75.0 109.877 175.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.64 -34.28 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 123.311 0.644 . . . . 50.0 110.654 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -79.07 -18.78 52.82 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.505 -0.77 . . . . 25.0 111.485 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . 0.503 ' HH ' HG13 ' B' ' 537' ' ' ILE . 17.3 m-30 -76.04 -37.2 58.61 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.931 -0.577 . . . . 75.0 110.742 172.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -83.55 -36.35 24.07 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.232 -0.44 . . . . 25.0 111.593 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -67.51 -20.01 65.39 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.207 0.603 . . . . 75.0 111.228 177.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -85.85 -36.28 20.1 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.367 -0.833 . . . . 75.0 111.74 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.514 HG12 ' HD2' ' A' ' 656' ' ' LYS . 18.5 t -73.05 -45.05 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 112.681 0.622 . . . . 50.0 112.681 -172.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.491 ' OE2' ' HG2' ' A' ' 600' ' ' ARG . 13.8 tm-20 -57.08 -29.57 63.59 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.423 0.689 . . . . 75.0 111.953 -177.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.89 -25.05 75.71 Favored Glycine 0 C--N 1.347 1.19 0 O-C-N 123.205 0.316 . . . . 50.0 113.472 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -84.85 -19.08 32.95 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.717 0.407 . . . . 75.0 111.099 176.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.636 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 3.9 mtm -71.57 -35.87 70.73 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.145 -0.48 . . . . 75.0 112.104 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.425 ' CE2' ' HG3' ' A' ' 641' ' ' GLU . 0.0 OUTLIER -75.69 -24.56 56.27 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.126 -0.488 . . . . 50.0 110.735 178.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . 0.425 ' HG3' ' CE2' ' A' ' 640' ' ' TYR . 75.0 mt-10 -88.64 -26.48 21.86 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.948 0.899 . . . . 50.0 111.086 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 85.7 p -96.45 -41.38 8.62 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.091 0.404 . . . . 75.0 112.091 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.41 140.83 29.13 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.678 0.275 . . . . 25.0 111.722 -176.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -109.77 -6.38 15.29 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.767 -0.651 . . . . 50.0 111.017 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 74.9 m -131.56 157.61 43.16 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.863 0.363 . . . . 50.0 110.585 -175.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -72.06 -29.81 64.5 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.542 -0.754 . . . . 50.0 111.909 -176.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.53 -23.52 37.2 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.236 0.335 . . . . 75.0 111.301 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -86.35 -39.89 15.99 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 122.594 0.358 . . . . 75.0 110.184 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -57.01 -51.03 70.88 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.236 0.614 . . . . 75.0 111.339 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.457 ' OH ' HD21 ' A' ' 599' ' ' LEU . 24.8 m-85 -75.52 -16.02 60.33 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.386 0.884 . . . . 75.0 113.386 179.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -81.64 -46.81 13.84 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.074 0.15 . . . . 50.0 111.385 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 78.9 mt -51.73 -39.56 58.67 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.67 0.788 . . . . 50.0 112.901 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.636 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -72.59 -38.66 67.8 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.948 -0.569 . . . . 75.0 111.773 176.113 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.72 -24.96 64.53 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.333 -0.394 . . . . 25.0 111.23 175.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -74.38 -40.88 61.8 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.679 -0.691 . . . . 75.0 111.578 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.514 ' HD2' HG12 ' A' ' 635' ' ' VAL . 24.2 mttp -68.46 -24.95 64.76 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.777 -0.453 . . . . 75.0 109.777 174.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 5.2 mt -70.57 -31.99 48.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.477 -0.783 . . . . 50.0 110.224 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -85.34 -33.28 22.08 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.988 -0.551 . . . . 75.0 111.256 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -74.57 -33.06 62.59 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.535 0.569 . . . . 75.0 112.535 -176.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.483 HG23 HG12 ' A' ' 611' ' ' ILE . 97.3 mt -76.04 -28.66 18.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.012 0.435 . . . . 50.0 109.841 176.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -69.38 -19.92 63.83 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.533 -0.758 . . . . 50.0 112.114 172.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -75.65 -40.23 56.48 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.648 0.379 . . . . 75.0 111.918 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -71.24 -43.05 68.04 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.915 0.486 . . . . 50.0 112.168 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.25 -19.24 64.38 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 112.488 0.551 . . . . 50.0 112.488 171.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -86.26 -23.93 26.17 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.445 0.298 . . . . 75.0 110.655 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -67.35 -25.76 66.15 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.866 0.466 . . . . 75.0 111.934 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -83.45 -17.85 40.65 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.175 -0.466 . . . . 75.0 111.211 175.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -86.01 -18.7 31.83 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.65 -0.704 . . . . 75.0 111.639 -176.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 52.4 mtm-85 -86.67 -16.64 35.95 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 123.243 0.339 . . . . 75.0 111.199 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 89.0 p -85.8 -5.5 59.24 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 112.103 0.409 . . . . 75.0 112.103 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -95.36 -7.24 39.12 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.352 -0.385 . . . . 75.0 111.442 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 72.8 mt . . . . . 0 C--O 1.253 1.289 0 CA-C-O 118.701 -0.666 . . . . 50.0 110.807 179.316 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.523 -0.231 . . . . 25.0 112.523 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 70.6 m -109.02 129.73 23.55 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-O 119.478 -0.296 . . . . 50.0 111.059 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -73.06 143.01 35.37 Favored 'Trans proline' 0 C--N 1.374 1.902 0 C-N-CA 122.37 2.047 . . . . 75.0 113.452 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -143.35 -103.37 0.45 Allowed Glycine 0 C--N 1.337 0.62 0 CA-C-N 115.877 -0.601 . . . . 50.0 112.522 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -106.1 132.77 20.62 Favored Pre-proline 0 CA--C 1.544 0.744 0 O-C-N 123.684 0.285 . . . . 50.0 111.304 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.4 136.68 22.09 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.295 1.997 . . . . 75.0 113.366 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -116.53 -39.94 3.27 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.888 -0.596 . . . . 50.0 110.576 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -122.13 107.14 1.13 Allowed Glycine 0 C--N 1.339 0.748 0 O-C-N 123.457 0.473 . . . . 50.0 112.297 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 95.7 mt -111.83 24.55 12.56 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 120.717 0.294 . . . . 50.0 111.446 -178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.71 -7.39 15.29 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 121.15 0.5 . . . . 50.0 111.186 -177.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 18.4 t -147.89 74.69 1.32 Allowed 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.416 -0.811 . . . . 50.0 109.692 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -102.03 37.13 3.81 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 115.467 -0.788 . . . . 50.0 113.361 -176.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -130.91 -18.29 3.03 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.95 0.405 . . . . 75.0 111.102 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -103.3 -5.11 23.36 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.345 -0.843 . . . . 75.0 111.734 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -91.32 -9.87 43.41 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.893 -1.049 . . . . 75.0 111.437 -177.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -88.39 -12.03 44.41 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.354 0.262 . . . . 50.0 111.278 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 99.4 p -69.81 -22.56 63.29 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.391 -0.368 . . . . 75.0 111.529 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 87.6 p -89.53 -22.74 22.26 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.103 -0.499 . . . . 50.0 111.746 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 537' ' ' ILE . . . . . 0.503 HG13 ' HH ' ' A' ' 631' ' ' TYR . 48.8 mm -86.65 -32.55 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 123.232 0.333 . . . . 50.0 111.251 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 538' ' ' ALA . . . . . 0.536 ' O ' ' HB2' ' B' ' 542' ' ' PHE . . . -81.28 -11.21 59.42 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.437 0.903 . . . . 50.0 113.437 -171.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -106.42 -3.44 21.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.935 -0.575 . . . . 75.0 109.95 174.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 82.8 mtp -102.78 -29.43 11.48 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.189 -0.914 . . . . 50.0 110.682 173.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 541' ' ' ASP . . . . . 0.521 ' HB3' HD11 ' B' ' 545' ' ' LEU . 0.6 OUTLIER -95.55 -19.77 19.53 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.538 -0.755 . . . . 50.0 111.298 -177.248 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 542' ' ' PHE . . . . . 0.536 ' HB2' ' O ' ' B' ' 538' ' ' ALA . 50.4 t80 -69.65 -17.73 63.52 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 111.861 0.319 . . . . 75.0 111.861 -176.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 543' ' ' SER . . . . . 0.408 ' HG ' ' N ' ' B' ' 544' ' ' ALA . 91.4 p -81.23 -40.0 24.48 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.417 0.448 . . . . 50.0 112.148 -176.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 544' ' ' ALA . . . . . 0.408 ' N ' ' HG ' ' B' ' 543' ' ' SER . . . -84.82 -21.96 29.66 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.364 -0.38 . . . . 25.0 111.329 176.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . 0.633 HD23 ' N ' ' A' ' 625' ' ' MET . 33.5 mt -85.49 -24.98 27.13 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.436 -0.802 . . . . 75.0 112.23 -176.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 66.5 tp -87.65 -18.22 30.09 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 117.924 0.329 . . . . 75.0 111.461 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.8 p -75.6 -16.13 60.27 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.039 0.535 . . . . 75.0 112.097 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -76.64 -11.29 59.83 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.622 0.601 . . . . 75.0 112.622 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 43.1 mm -95.54 -31.94 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 116.122 -0.49 . . . . 50.0 110.603 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 76.4 p -93.6 -37.86 11.65 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.273 0.358 . . . . 50.0 111.56 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 39.0 m . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.748 -0.644 . . . . 50.0 110.893 179.703 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 114.404 0.522 . . . . 25.0 114.404 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 55.9 p-90 -58.76 -36.46 74.42 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.317 0.647 . . . . 25.0 112.702 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -65.13 -39.23 92.74 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.033 0.533 . . . . 25.0 111.936 -175.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -90.82 -3.32 57.48 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.296 0.372 . . . . 25.0 111.583 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -103.52 -26.03 12.99 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.921 -0.581 . . . . 25.0 111.548 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.565 ' HA ' HD12 ' A' ' 599' ' ' LEU . 18.0 t -79.97 127.45 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 N-CA-C 110.058 -0.349 . . . . 25.0 110.058 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.411 ' H ' HD12 ' A' ' 599' ' ' LEU . 42.8 p -108.35 179.81 4.1 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.522 -0.763 . . . . 25.0 111.341 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -78.04 -18.16 56.18 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.738 -0.665 . . . . 25.0 110.286 170.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -85.11 -28.22 25.73 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.927 -0.579 . . . . 25.0 111.074 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 595' ' ' VAL . 25.2 mt -69.11 -49.03 60.77 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 122.9 0.125 . . . . 25.0 111.069 173.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 604' ' ' VAL . 99.6 mtt180 -57.0 -21.84 33.83 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 -176.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 83.8 p -84.25 -32.58 24.37 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.16 -0.473 . . . . 25.0 111.293 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -82.38 -20.31 37.42 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.828 0.451 . . . . 25.0 110.957 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.522 HD21 ' CE2' ' A' ' 650' ' ' TYR . 13.0 mt -74.44 -32.91 62.79 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.821 0.848 . . . . 25.0 110.378 176.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 600' ' ' ARG . 96.7 t -83.02 -32.74 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-N 114.857 -1.065 . . . . 25.0 110.299 176.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -74.67 -16.96 60.75 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.143 -0.48 . . . . 25.0 110.236 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -83.83 -24.77 30.8 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.369 -0.832 . . . . 25.0 109.042 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.409 HD11 ' CD1' ' A' ' 653' ' ' LEU . 2.4 mt -86.69 -39.71 15.78 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.164 -1.38 . . . . 25.0 111.642 -177.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 3.6 p -73.4 -24.3 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 122.99 0.516 . . . . 25.0 111.42 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -81.8 -26.91 33.99 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.613 0.244 . . . . 25.0 111.557 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -80.62 -34.23 35.24 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.892 -0.595 . . . . 25.0 111.585 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.52 HG12 HG21 ' A' ' 660' ' ' ILE . 95.2 mt -77.17 -48.99 23.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 116.245 -0.434 . . . . 25.0 109.929 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.425 ' CD2' HD13 ' B' ' 545' ' ' LEU . 67.3 t80 -141.74 114.42 6.6 Favored Pre-proline 0 CA--C 1.547 0.833 0 O-C-N 123.241 0.338 . . . . 25.0 110.277 172.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 613' ' ' PRO . . . . . 0.475 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 51.8 Cg_exo -63.61 141.13 78.54 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 122.383 2.055 . . . . 25.0 112.241 173.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 616' ' ' ASP . 27.1 m -90.04 113.24 56.45 Favored Pre-proline 0 C--O 1.237 0.418 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 84.6 Cg_exo -62.61 -52.98 2.0 Allowed 'Trans proline' 0 C--N 1.368 1.567 0 C-N-CA 123.489 2.793 . . . . 25.0 112.588 168.368 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.461 ' OD1' ' HD2' ' A' ' 617' ' ' PRO . 7.6 t70 -126.27 142.33 42.46 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 114.929 -1.032 . . . . 25.0 111.045 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.461 ' HD2' ' OD1' ' A' ' 616' ' ' ASP . 42.4 Cg_exo -57.58 -12.77 12.0 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 123.883 3.055 . . . . 25.0 113.986 174.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -82.88 -19.61 37.1 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -66.0 -18.47 65.36 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.471 0.545 . . . . 25.0 112.471 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 95.7 mt -79.19 -12.17 59.97 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.244 0.461 . . . . 25.0 112.244 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -106.04 14.71 27.46 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.058 0.456 . . . . 25.0 110.435 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -86.4 163.2 17.75 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.817 -0.629 . . . . 25.0 110.905 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.16 -52.81 9.32 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 122.737 0.415 . . . . 25.0 111.586 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 16.4 mmm-85 -61.06 -30.18 70.17 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 61.6 tpp -72.81 -40.31 65.96 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.489 0.316 . . . . 25.0 110.853 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 626' ' ' GLU . . . . . 0.436 ' HA ' ' HB ' ' A' ' 629' ' ' VAL . 38.8 tt0 -64.47 -20.12 65.99 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.919 0.711 . . . . 25.0 112.919 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -68.72 -41.87 78.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 93.2 mt -86.29 -21.77 27.14 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.566 0.222 . . . . 25.0 110.722 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.531 HG12 ' HD2' ' A' ' 633' ' ' LYS . 2.2 t -55.26 -32.77 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 109.383 -0.599 . . . . 25.0 109.383 167.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -77.98 -18.93 55.38 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 114.508 -1.224 . . . . 25.0 111.522 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 631' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 42.3 t80 -75.91 -42.68 48.21 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.086 -0.506 . . . . 25.0 110.154 169.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.1 -23.83 30.59 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.411 0.444 . . . . 25.0 112.048 -174.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.531 ' HD2' HG12 ' A' ' 629' ' ' VAL . 32.0 mttt -67.78 -24.6 65.34 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.093 0.473 . . . . 25.0 111.284 174.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -85.87 -36.55 19.89 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.001 -1.0 . . . . 25.0 112.217 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.81 -35.73 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -168.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.411 ' HA ' ' SD ' ' A' ' 639' ' ' MET . 9.2 tm-20 -51.71 -38.31 54.61 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.884 0.473 . . . . 25.0 112.199 -177.067 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.36 -19.64 77.69 Favored Glycine 0 C--N 1.347 1.174 0 CA-C-N 116.002 -0.544 . . . . 25.0 113.569 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -82.35 -19.37 39.41 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.53 0.332 . . . . 25.0 110.495 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.435 ' HG2' ' HB2' ' A' ' 652' ' ' LEU . 2.7 mtp -82.77 -22.93 34.14 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.278 -0.419 . . . . 25.0 111.351 175.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -77.22 -31.74 55.38 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.964 -0.562 . . . . 25.0 111.273 -176.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -89.06 -26.03 21.62 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.995 -0.548 . . . . 25.0 111.864 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 91.2 p -95.31 -39.67 9.93 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.664 0.616 . . . . 25.0 112.664 -173.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.35 145.95 24.56 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 111.847 0.314 . . . . 25.0 111.847 -176.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -116.77 -6.22 11.55 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.683 -0.689 . . . . 25.0 111.876 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 80.1 p -132.6 163.94 27.77 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.526 -0.307 . . . . 25.0 110.928 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 73.5 ttt-85 -72.7 -28.28 62.58 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.941 -0.572 . . . . 25.0 111.459 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.38 -25.28 36.42 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 123.252 0.345 . . . . 25.0 111.565 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -86.08 -45.36 11.47 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 110.183 -0.303 . . . . 25.0 110.183 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -52.89 -55.1 25.72 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.372 0.669 . . . . 25.0 111.491 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.522 ' CE2' HD21 ' A' ' 603' ' ' LEU . 13.0 m-30 -67.83 -16.13 63.95 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 177.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -84.63 -36.87 21.7 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.487 0.315 . . . . 25.0 111.758 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.435 ' HB2' ' HG2' ' A' ' 639' ' ' MET . 85.3 mt -65.71 -37.02 85.26 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.017 0.527 . . . . 25.0 112.112 178.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.409 ' CD1' HD11 ' A' ' 607' ' ' LEU . 6.2 tt -72.96 -27.68 61.97 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.994 -0.548 . . . . 25.0 112.019 172.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -82.02 -28.0 32.76 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.279 0.474 . . . . 25.0 112.279 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -71.85 -35.77 69.95 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -65.02 -29.75 70.68 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 171.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 4.3 mt -68.88 -38.97 79.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-N 115.242 -0.89 . . . . 25.0 111.129 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -84.49 -29.22 26.18 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.957 0.408 . . . . 25.0 110.446 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -74.88 -28.22 60.56 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 115.152 -0.931 . . . . 25.0 112.277 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.52 HG21 HG12 ' A' ' 611' ' ' ILE . 91.0 mt -82.27 -27.58 9.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 175.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -65.19 -19.4 65.96 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.709 -0.678 . . . . 25.0 112.236 173.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -73.56 -43.02 60.85 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 122.862 0.465 . . . . 25.0 112.056 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -70.09 -39.49 75.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 122.978 0.511 . . . . 25.0 112.339 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.17 -21.65 66.35 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.299 0.481 . . . . 25.0 112.299 172.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 CA--C 1.542 0.643 0 C-N-CA 122.615 0.366 . . . . 25.0 110.929 178.851 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 CA--C 1.531 0.249 0 CA-C-O 120.778 0.323 . . . . 25.0 110.679 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 81.5 mt -86.82 -25.65 6.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 115.362 -0.836 . . . . 25.0 111.251 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.26 -11.3 59.41 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.771 0.656 . . . . 25.0 112.771 -175.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -102.5 -11.18 18.74 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.366 -0.834 . . . . 25.0 109.614 173.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 92.8 mtp -89.25 -29.01 19.53 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.255 -0.884 . . . . 25.0 110.926 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -90.95 -21.15 21.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.84 -0.618 . . . . 25.0 111.629 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -76.85 -28.01 55.32 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.102 0.251 . . . . 25.0 110.98 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 77.1 p -81.78 -24.78 35.77 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.097 -0.501 . . . . 25.0 111.616 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.29 -22.58 30.65 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.184 0.438 . . . . 25.0 112.184 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 545' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' A' ' 612' ' ' PHE . 79.1 mt -81.05 -22.91 38.94 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.49 -32.33 19.51 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.834 0.349 . . . . 25.0 110.989 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.6 p -76.27 -16.95 59.68 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.481 -0.782 . . . . 25.0 112.523 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -91.98 -11.61 35.61 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.827 0.677 . . . . 25.0 112.827 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 86.4 mt -101.93 -32.95 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.22 -0.445 . . . . 25.0 111.956 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 95.4 p -99.13 -34.6 10.31 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 123.317 0.386 . . . . 25.0 111.25 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 117.978 -1.01 . . . . 25.0 112.26 179.777 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.814 0 CA-C-O 120.046 -0.308 . . . . 25.0 113.856 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 591' ' ' TRP . . . . . 0.506 ' CZ3' ' HD2' ' A' ' 646' ' ' ARG . 91.0 m95 -84.46 -18.6 35.37 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -178.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -80.86 -13.25 59.1 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.352 -0.385 . . . . 25.0 111.64 171.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -76.96 -38.87 52.42 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.303 0.483 . . . . 25.0 112.303 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -90.16 -20.58 22.92 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.147 0.28 . . . . 25.0 111.695 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 52.8 t -85.24 128.51 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 73.2 p -111.12 -176.67 3.01 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.649 -0.705 . . . . 25.0 111.845 -176.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -78.69 -17.76 55.41 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.337 -0.847 . . . . 25.0 110.029 170.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -83.02 -25.29 32.31 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.846 -0.616 . . . . 25.0 111.138 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 3.2 tp -66.61 -50.35 63.29 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 122.885 0.116 . . . . 25.0 111.281 172.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -58.09 -22.39 50.29 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 -174.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.9 p -83.82 -31.91 25.58 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 123.408 0.443 . . . . 25.0 111.247 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -80.5 -22.99 40.43 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.008 0.523 . . . . 25.0 110.572 176.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.418 HD21 ' CE2' ' A' ' 650' ' ' TYR . 6.6 mt -74.9 -32.59 61.87 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.113 -0.949 . . . . 25.0 110.126 174.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 11.6 t -83.49 -31.15 8.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 114.951 -1.022 . . . . 25.0 110.918 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 38.0 m170 -76.64 -16.91 59.43 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 120.896 0.379 . . . . 25.0 110.661 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -85.29 -26.42 26.62 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 122.077 0.941 . . . . 25.0 108.817 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.528 HD22 HD11 ' A' ' 653' ' ' LEU . 23.0 tp -87.58 -40.35 14.32 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 113.071 -1.877 . . . . 25.0 111.775 -176.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.07 -21.52 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 123.329 0.651 . . . . 25.0 111.365 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -83.14 -27.3 30.22 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.591 0.234 . . . . 25.0 111.289 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.9 -23.04 48.84 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.882 -0.599 . . . . 25.0 111.466 174.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.601 HG12 HG21 ' A' ' 660' ' ' ILE . 95.3 mt -87.4 -59.07 2.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 177.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -143.97 106.47 4.91 Favored Pre-proline 0 CA--C 1.547 0.855 0 N-CA-C 110.089 -0.337 . . . . 25.0 110.089 171.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -80.68 145.43 16.21 Favored 'Trans proline' 0 C--N 1.372 1.816 0 C-N-CA 121.999 1.799 . . . . 25.0 112.523 174.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 87.7 m -143.75 124.86 8.03 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 116.26 -0.427 . . . . 25.0 112.073 -177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -49.08 -52.17 9.24 Favored 'Trans proline' 0 C--N 1.372 1.78 0 C-N-CA 124.076 3.184 . . . . 25.0 114.108 171.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -86.07 116.36 65.46 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 115.423 -0.808 . . . . 25.0 111.727 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -63.28 -10.13 20.1 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.926 2.417 . . . . 25.0 114.057 174.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.29 -10.45 59.47 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -82.68 -16.88 46.51 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 122.548 0.339 . . . . 25.0 111.748 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.475 HD23 ' SD ' ' A' ' 625' ' ' MET . 97.6 mt -84.04 1.04 45.76 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.147 -0.479 . . . . 25.0 112.115 -177.208 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -104.57 14.63 29.58 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.933 0.397 . . . . 25.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -88.6 157.77 18.48 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.78 -0.646 . . . . 25.0 110.818 -177.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 16.7 mmp_? -78.65 -37.45 41.95 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.827 -176.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -72.42 -23.16 61.05 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 114.66 -1.155 . . . . 25.0 111.936 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.475 ' SD ' HD23 ' A' ' 620' ' ' LEU . 0.0 OUTLIER -88.97 -35.2 16.56 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 122.832 0.453 . . . . 25.0 110.844 178.318 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -54.68 -20.41 8.18 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.543 0.737 . . . . 25.0 112.699 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -66.34 -41.09 90.09 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 122.842 0.457 . . . . 25.0 111.828 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.595 HD23 ' CD2' ' A' ' 631' ' ' TYR . 91.5 mt -86.52 -27.86 23.75 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.985 0.178 . . . . 25.0 111.048 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.09 -34.51 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 170.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -77.35 -18.67 57.2 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.802 -1.09 . . . . 25.0 111.395 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 631' ' ' TYR . . . . . 0.595 ' CD2' HD23 ' A' ' 628' ' ' LEU . 5.6 m-30 -79.57 -34.65 40.69 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.679 -0.692 . . . . 25.0 110.693 172.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.411 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -84.6 -35.57 22.65 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.156 -0.475 . . . . 25.0 112.24 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -66.4 -26.05 67.06 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.929 0.492 . . . . 25.0 112.273 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -85.25 -30.01 24.17 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.785 0.661 . . . . 25.0 112.785 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.445 ' O ' ' HG3' ' A' ' 639' ' ' MET . 77.6 t -73.99 -36.73 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 111.583 0.216 . . . . 25.0 111.583 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.81 -30.55 71.56 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.074 0.549 . . . . 25.0 111.368 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -82.94 -21.18 59.74 Favored Glycine 0 C--N 1.346 1.132 0 O-C-N 123.486 0.491 . . . . 25.0 113.357 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -83.93 -18.63 36.69 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 122.779 0.432 . . . . 25.0 110.584 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.734 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 9.1 mtm -70.23 -25.23 63.29 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.802 0.667 . . . . 25.0 112.802 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -74.99 -33.48 61.86 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 111.65 0.241 . . . . 25.0 111.65 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -88.34 -19.62 26.44 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.956 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 95.3 p -96.15 -33.91 11.87 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.235 0.334 . . . . 25.0 111.771 -177.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -95.95 141.55 29.24 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.195 0.309 . . . . 25.0 111.631 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -112.31 -8.18 13.95 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.802 -0.635 . . . . 25.0 111.981 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 94.4 p -132.7 171.59 13.66 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.311 -0.404 . . . . 25.0 110.953 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.506 ' HD2' ' CZ3' ' A' ' 591' ' ' TRP . 79.1 ttt-85 -76.87 -33.69 57.84 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -81.06 -20.08 42.38 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 123.167 0.292 . . . . 25.0 111.587 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -85.86 -37.38 19.23 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.864 -0.421 . . . . 25.0 109.864 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -58.46 -55.82 30.11 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.273 0.629 . . . . 25.0 111.385 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.418 ' CE2' HD21 ' A' ' 603' ' ' LEU . 62.5 m-85 -72.82 -17.84 61.52 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.557 0.947 . . . . 25.0 113.557 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -84.66 -40.25 17.63 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 111.782 0.29 . . . . 25.0 111.782 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 36.0 mt -54.08 -42.97 69.93 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.403 0.681 . . . . 25.0 112.61 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.734 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -68.39 -33.5 74.36 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.882 -0.599 . . . . 25.0 111.697 174.399 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.435 ' O ' ' CD1' ' A' ' 658' ' ' TYR . . . -72.67 -25.81 61.4 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.194 -0.457 . . . . 25.0 111.325 175.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -67.58 -45.44 75.54 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.856 -0.611 . . . . 25.0 112.195 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -68.14 -24.81 65.04 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 1.7 mt -72.9 -29.38 29.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 CA-C-N 115.53 -0.759 . . . . 25.0 110.011 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 658' ' ' TYR . . . . . 0.435 ' CD1' ' O ' ' A' ' 654' ' ' ALA . 35.0 m-85 -84.71 -32.65 23.41 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.079 -0.51 . . . . 25.0 110.999 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -78.87 -31.38 45.52 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 123.534 0.521 . . . . 25.0 112.388 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.601 HG21 HG12 ' A' ' 611' ' ' ILE . 96.7 mt -76.97 -28.55 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.719 -0.475 . . . . 25.0 109.719 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -70.12 -19.66 63.22 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.345 -0.843 . . . . 25.0 112.078 172.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -77.62 -40.79 40.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.758 0.423 . . . . 25.0 111.777 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -73.59 -41.71 62.51 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.009 0.524 . . . . 25.0 111.66 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.5 -18.51 62.28 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.334 -0.848 . . . . 25.0 112.255 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 N--CA 1.474 0.762 0 C-N-CA 123.011 0.524 . . . . 25.0 111.484 178.765 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 111.366 0.135 . . . . 25.0 111.366 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 66.9 mt -86.81 -30.84 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 116.339 -0.391 . . . . 25.0 111.102 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.98 -11.65 58.75 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.831 0.678 . . . . 25.0 112.831 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -98.73 -14.07 19.93 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.414 -0.812 . . . . 25.0 109.824 175.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 96.1 mtp -92.11 -27.8 17.51 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.264 -0.88 . . . . 25.0 110.888 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -92.57 -19.56 21.81 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.518 -0.764 . . . . 25.0 111.752 -177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -73.64 -25.52 60.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.457 0.17 . . . . 25.0 111.21 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.8 p -81.81 -25.49 35.17 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.115 -0.493 . . . . 25.0 111.624 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.2 -22.81 30.78 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.275 -0.42 . . . . 25.0 112.009 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 58.9 mt -83.37 -16.55 45.57 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.553 0.575 . . . . 25.0 112.553 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 93.5 mt -77.68 -43.33 31.57 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.915 0.388 . . . . 25.0 110.817 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.6 p -76.81 -16.21 59.51 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.251 -0.886 . . . . 25.0 111.944 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -74.64 -27.52 60.48 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.122 0.569 . . . . 25.0 112.188 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 40.8 pt -104.89 -19.47 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 115.764 -0.653 . . . . 25.0 112.27 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 81.0 p -94.74 -38.1 10.95 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.364 0.415 . . . . 25.0 111.369 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 117.954 -1.022 . . . . 25.0 110.866 179.767 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.858 0 N-CA-C 114.332 0.493 . . . . 25.0 114.332 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 591' ' ' TRP . . . . . 0.494 ' HD1' ' H ' ' A' ' 592' ' ' HIS . 0.3 OUTLIER -68.31 -34.85 76.87 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.666 0.617 . . . . 25.0 112.666 -177.492 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 592' ' ' HIS . . . . . 0.494 ' H ' ' HD1' ' A' ' 591' ' ' TRP . 61.4 t-80 -71.05 -12.92 61.78 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 122.595 0.358 . . . . 25.0 111.623 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -83.0 -25.67 32.0 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -112.22 -23.65 10.28 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.882 0.697 . . . . 25.0 112.882 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.508 HG22 HD23 ' A' ' 599' ' ' LEU . 77.5 t -79.82 125.83 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 120.851 0.358 . . . . 25.0 110.156 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 66.8 p -112.45 -176.48 2.92 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.325 -0.852 . . . . 25.0 111.238 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -71.4 -18.69 62.33 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.55 -0.75 . . . . 25.0 110.025 166.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -83.3 -39.06 21.29 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 116.148 -0.478 . . . . 25.0 112.171 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.508 HD23 HG22 ' A' ' 595' ' ' VAL . 60.3 tp -62.75 -47.13 84.9 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 111.843 0.312 . . . . 25.0 111.843 177.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -57.61 -29.46 64.54 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.748 0.419 . . . . 25.0 111.66 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 69.6 p -80.55 -25.92 38.32 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.346 -0.843 . . . . 25.0 111.138 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -84.67 -20.31 31.47 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.01 -0.541 . . . . 25.0 110.894 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 35.7 mt -78.63 -37.13 42.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.56 0.744 . . . . 25.0 109.674 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 53.5 t -71.52 -35.61 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 114.728 -1.124 . . . . 25.0 110.65 171.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -74.92 -17.22 60.6 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.857 0.361 . . . . 25.0 110.388 175.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -83.22 -22.7 33.06 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.438 -0.801 . . . . 25.0 109.178 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.499 HD23 ' HB1' ' A' ' 632' ' ' ALA . 3.2 tp -86.53 -43.59 12.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.13 -1.396 . . . . 25.0 111.5 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 63.7 t -71.02 -24.3 24.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.344 0.657 . . . . 25.0 111.414 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -84.9 -26.89 27.0 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.575 0.226 . . . . 25.0 111.285 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -75.66 -28.77 58.86 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.889 -0.596 . . . . 25.0 111.286 174.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 51.9 mt -91.25 -41.29 13.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 116.088 -0.506 . . . . 25.0 109.764 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -134.59 100.69 12.26 Favored Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 122.79 0.436 . . . . 25.0 110.205 174.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.3 133.68 13.5 Favored 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.418 2.079 . . . . 25.0 112.492 174.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.23 126.87 5.65 Favored Pre-proline 0 CA--C 1.543 0.704 0 CA-C-N 116.357 -0.383 . . . . 25.0 111.924 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -52.85 -52.45 8.81 Favored 'Trans proline' 0 C--N 1.371 1.73 0 C-N-CA 123.814 3.01 . . . . 25.0 114.067 172.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 41.6 t0 -86.83 121.69 71.73 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 115.561 -0.745 . . . . 25.0 112.163 -176.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 55.5 Cg_endo -63.46 -10.23 20.92 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 123.037 2.491 . . . . 25.0 114.085 173.193 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.13 -8.19 57.07 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.852 0.686 . . . . 25.0 112.852 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.62 -7.94 59.65 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.208 0.447 . . . . 25.0 112.208 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 98.4 mt -82.98 4.03 27.63 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.925 -0.58 . . . . 25.0 112.527 -174.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -98.8 15.25 26.04 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.055 0.455 . . . . 25.0 111.337 -176.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -81.73 154.42 26.03 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.63 -0.713 . . . . 25.0 111.047 -177.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -83.44 -37.17 23.55 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.865 -175.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 -66.8 -22.09 66.03 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.077 -0.965 . . . . 25.0 111.953 176.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.519 ' HG3' HG23 ' A' ' 629' ' ' VAL . 26.2 tpp -79.19 -40.68 30.2 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.23 0.612 . . . . 25.0 111.399 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -54.8 -21.13 10.2 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 112.613 0.597 . . . . 25.0 112.613 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -79.99 -28.51 39.47 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.51 0.324 . . . . 25.0 111.467 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 65.1 tp -86.04 -42.27 14.1 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.004 0.522 . . . . 25.0 110.203 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.519 HG23 ' HG3' ' A' ' 625' ' ' MET . 54.5 t -57.43 -29.44 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.193 0.597 . . . . 25.0 110.784 174.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -78.0 -18.71 55.59 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.874 -0.603 . . . . 25.0 111.53 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 631' ' ' TYR . . . . . 0.456 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 15.5 t80 -76.54 -40.77 48.88 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.531 171.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.499 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -84.2 -21.73 31.16 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 123.208 0.318 . . . . 25.0 111.788 -176.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.483 ' HD2' HG12 ' A' ' 629' ' ' VAL . 46.3 mttt -70.88 -24.42 62.49 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.913 0.387 . . . . 25.0 111.618 175.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -85.31 -33.73 22.03 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.344 -0.843 . . . . 25.0 111.817 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.602 ' O ' ' HG3' ' A' ' 639' ' ' MET . 96.1 t -75.86 -31.96 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 112.423 0.527 . . . . 25.0 112.423 -173.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -70.13 -28.91 65.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.499 0.32 . . . . 25.0 111.464 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -82.06 -22.05 59.96 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 116.315 -0.402 . . . . 25.0 113.281 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -84.92 -18.86 33.36 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.726 0.411 . . . . 25.0 110.496 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.801 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 2.9 mtm -69.76 -32.86 71.62 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.427 0.691 . . . . 25.0 112.694 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -78.47 -25.18 45.74 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.092 0.245 . . . . 25.0 111.319 -176.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -88.35 -22.69 23.68 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.25 -0.432 . . . . 25.0 111.502 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 p -96.15 -30.05 13.73 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.252 -0.431 . . . . 25.0 111.973 -177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 643' ' ' ALA . . . . . 0.403 ' O ' ' CH2' ' A' ' 591' ' ' TRP . . . -99.98 151.81 20.91 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.866 0.321 . . . . 25.0 111.866 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -121.0 -13.5 8.58 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.726 -0.67 . . . . 25.0 110.974 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 94.3 p -131.57 173.0 11.56 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.534 -0.303 . . . . 25.0 111.115 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.519 ' HG3' ' CE1' ' A' ' 650' ' ' TYR . 16.6 ttt-85 -75.23 -32.47 61.15 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.804 0.441 . . . . 25.0 111.673 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -80.38 -21.84 41.91 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 111.97 0.359 . . . . 25.0 111.97 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -86.6 -42.73 13.22 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 110.128 -0.323 . . . . 25.0 110.128 175.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -57.3 -51.42 69.44 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.252 0.621 . . . . 25.0 111.726 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.519 ' CE1' ' HG3' ' A' ' 646' ' ' ARG . 35.8 m-85 -75.74 -17.32 59.95 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.649 0.981 . . . . 25.0 113.649 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -84.85 -36.61 21.46 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 111.728 0.27 . . . . 25.0 111.728 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 43.8 mt -57.7 -39.12 76.47 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.603 0.761 . . . . 25.0 112.393 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.801 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -73.67 -34.83 65.08 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.635 -0.711 . . . . 25.0 112.277 174.275 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -75.3 -27.68 59.42 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -74.91 -30.84 61.39 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -71.09 -29.52 65.4 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 171.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 1.8 mt -69.56 -30.55 45.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.168 -0.924 . . . . 25.0 110.662 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -85.19 -34.28 22.1 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.231 -0.441 . . . . 25.0 111.275 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -75.11 -33.95 61.65 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 -177.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 80.9 mt -72.14 -32.75 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -71.34 -20.07 62.22 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.549 -0.751 . . . . 25.0 112.379 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -74.37 -38.47 63.17 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.16 0.429 . . . . 25.0 112.16 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -74.06 -44.1 55.43 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.189 0.596 . . . . 25.0 111.403 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.23 -19.2 61.75 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.849 -0.614 . . . . 25.0 112.16 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.542 0.672 0 C-N-CA 122.769 0.427 . . . . 25.0 110.992 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.464 0.274 0 N-CA-C 112.014 0.375 . . . . 25.0 112.014 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.6 mt -86.04 -40.02 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 112.025 0.38 . . . . 25.0 112.025 -174.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -79.2 -15.79 57.52 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.559 0.577 . . . . 25.0 112.559 -176.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -92.09 -25.68 18.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.447 -0.797 . . . . 25.0 109.633 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 92.9 mtp -75.75 -21.48 57.42 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.81 -0.632 . . . . 25.0 110.549 169.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -79.99 -54.87 5.39 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.175 -0.92 . . . . 25.0 111.405 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.11 -18.79 60.76 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 -173.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.9 p -78.85 -23.18 45.14 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.383 0.427 . . . . 25.0 111.313 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -81.97 -31.91 30.95 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.293 -0.412 . . . . 25.0 111.18 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 4.4 mt -84.05 -14.18 51.2 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.823 -0.626 . . . . 25.0 111.333 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 47.6 tp -74.92 -38.54 61.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.751 -0.659 . . . . 25.0 111.245 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.5 p -76.05 -16.46 59.93 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.696 -0.683 . . . . 25.0 112.004 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -78.85 -11.23 59.99 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 66.1 mt -98.07 -32.63 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 116.008 -0.542 . . . . 25.0 110.523 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 78.4 p -95.48 -40.39 9.5 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.247 0.342 . . . . 25.0 111.549 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.765 -0.636 . . . . 25.0 110.595 -179.801 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 CA-C-O 119.696 -0.502 . . . . 25.0 114.165 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 12.4 p-90 -84.21 -33.28 24.17 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.988 0.394 . . . . 25.0 111.48 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -63.97 -41.3 97.58 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.503 0.721 . . . . 25.0 111.984 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -84.61 -10.54 57.27 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 123.182 0.301 . . . . 25.0 111.703 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -95.06 -26.18 16.16 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.699 -0.682 . . . . 25.0 111.445 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.586 HG13 HD23 ' A' ' 599' ' ' LEU . 25.4 t -82.47 131.86 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 120.858 0.361 . . . . 25.0 110.367 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 81.8 p -104.4 176.57 5.11 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.404 -0.817 . . . . 25.0 111.568 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -78.14 -17.69 56.56 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.519 -0.764 . . . . 25.0 110.014 170.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -81.64 -24.09 36.56 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.703 -0.681 . . . . 25.0 110.915 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.586 HD23 HG13 ' A' ' 595' ' ' VAL . 15.5 tp -67.38 -49.79 62.42 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.05 0.218 . . . . 25.0 111.272 173.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -59.83 -22.15 61.86 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -175.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 95.2 p -84.12 -28.52 27.43 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.162 -0.472 . . . . 25.0 111.155 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -84.35 -20.52 31.85 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.068 -0.515 . . . . 25.0 110.834 178.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 42.6 mt -76.56 -35.78 58.01 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.446 0.699 . . . . 25.0 109.867 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 53.5 t -71.94 -39.2 66.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 114.783 -1.098 . . . . 25.0 110.698 172.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -71.96 -17.53 62.06 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.355 0.409 . . . . 25.0 110.621 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -85.27 -22.48 28.58 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.518 -0.764 . . . . 25.0 109.226 175.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 13.1 mt -86.88 -40.66 14.66 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 114.278 -1.328 . . . . 25.0 111.626 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.2 t -71.71 -25.59 24.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.361 0.665 . . . . 25.0 111.512 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -81.12 -26.71 35.94 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 120.615 0.245 . . . . 25.0 111.65 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -78.31 -35.54 47.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.857 -0.611 . . . . 25.0 111.596 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.459 HG12 HG21 ' A' ' 660' ' ' ILE . 91.7 mt -77.76 -49.57 21.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 109.827 -0.434 . . . . 25.0 109.827 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.517 ' CZ ' ' HB3' ' B' ' 545' ' ' LEU . 57.4 t80 -140.36 103.3 6.6 Favored Pre-proline 0 CA--C 1.551 0.989 0 O-C-N 123.233 0.333 . . . . 25.0 110.287 172.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -75.94 136.02 18.07 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.434 2.089 . . . . 25.0 112.505 174.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.8 t -148.94 126.14 5.53 Favored Pre-proline 0 CA--C 1.544 0.748 0 N-CA-C 112.119 0.414 . . . . 25.0 112.119 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -49.9 -53.87 6.37 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 124.109 3.206 . . . . 25.0 114.379 172.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -80.38 117.31 67.11 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.492 -0.776 . . . . 25.0 112.33 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -65.47 -10.32 25.77 Favored 'Trans proline' 0 C--N 1.376 1.981 0 C-N-CA 122.786 2.324 . . . . 25.0 113.946 172.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -74.78 -8.2 55.72 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.732 0.642 . . . . 25.0 112.732 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.42 -12.11 59.04 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 90.8 mt -85.15 2.85 41.79 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.393 0.516 . . . . 25.0 112.393 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -103.33 14.36 31.7 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.07 0.462 . . . . 25.0 110.655 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -87.76 153.63 21.2 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.755 -177.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.3 mmp_? -79.2 -37.08 39.1 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 115.429 -0.805 . . . . 25.0 110.882 -175.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -73.04 -21.46 60.8 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.784 -1.098 . . . . 25.0 112.378 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -86.67 -37.11 18.3 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.506 0.322 . . . . 25.0 111.211 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -53.73 -19.86 4.74 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.629 0.974 . . . . 25.0 113.629 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -68.82 -39.69 79.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.768 0.427 . . . . 25.0 111.723 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 79.0 mt -86.44 -31.06 21.6 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.513 0.197 . . . . 25.0 110.696 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 67.9 t -54.52 -34.92 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 123.21 0.604 . . . . 25.0 110.032 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -80.23 -18.48 49.34 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.756 -1.111 . . . . 25.0 111.545 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -73.88 -40.18 63.39 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.075 0.55 . . . . 25.0 110.741 172.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.68 -28.04 26.66 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.44 -0.345 . . . . 25.0 111.903 -177.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -61.54 -32.0 72.05 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.313 0.645 . . . . 25.0 112.252 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -87.07 -27.56 23.08 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.092 1.145 . . . . 25.0 114.092 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.71 -54.85 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 112.916 0.71 . . . . 25.0 112.916 -170.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -58.62 -20.62 49.04 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 113.453 0.909 . . . . 25.0 113.453 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.36 -23.41 78.1 Favored Glycine 0 C--N 1.345 1.035 0 C-N-CA 121.701 -0.285 . . . . 25.0 112.828 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -87.28 -19.44 28.26 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.876 0.47 . . . . 25.0 111.312 175.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.465 ' SD ' ' HB3' ' A' ' 653' ' ' LEU . 4.9 mtm -72.41 -20.77 61.37 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.898 0.479 . . . . 25.0 112.033 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -75.3 -34.45 61.29 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.959 -0.564 . . . . 25.0 111.371 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -88.82 -25.26 22.3 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.182 -0.463 . . . . 25.0 112.115 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 m -86.63 -45.93 10.56 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.905 0.335 . . . . 25.0 111.905 -175.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -84.74 147.28 26.96 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.276 0.36 . . . . 25.0 111.896 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -107.82 -13.12 15.07 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.723 -0.671 . . . . 25.0 111.201 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.3 p -131.72 159.25 38.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.494 -0.321 . . . . 25.0 110.672 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -75.56 -25.18 56.88 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.894 -0.593 . . . . 25.0 111.839 -175.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -81.31 -23.28 37.96 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.29 0.368 . . . . 25.0 111.326 175.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -86.17 -44.03 12.54 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.201 -0.454 . . . . 25.0 109.993 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -53.9 -50.7 65.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.712 0.805 . . . . 25.0 111.487 178.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.735 ' HA ' HD23 ' A' ' 653' ' ' LEU . 20.3 m-30 -66.17 -16.42 63.96 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.194 0.813 . . . . 25.0 113.194 174.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -84.82 -29.34 25.44 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.398 0.518 . . . . 25.0 112.398 -175.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.45 -28.51 67.94 Favored 'General case' 0 C--N 1.349 0.566 0 N-CA-C 112.008 0.373 . . . . 25.0 112.008 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.735 HD23 ' HA ' ' A' ' 650' ' ' TYR . 0.2 OUTLIER -87.71 -29.9 20.75 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.21 0.319 . . . . 25.0 111.746 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.487 ' N ' ' HG ' ' A' ' 653' ' ' LEU . . . -76.2 -24.91 54.7 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.252 0.345 . . . . 25.0 111.699 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -79.02 -31.72 44.79 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -68.78 -29.72 68.15 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 109.07 -0.715 . . . . 25.0 109.07 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 4.3 mt -69.86 -39.0 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-N 115.405 -0.816 . . . . 25.0 111.186 -176.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -82.99 -29.0 29.31 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.915 0.388 . . . . 25.0 110.356 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -76.36 -34.17 58.94 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.216 -0.902 . . . . 25.0 112.41 -177.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.459 HG21 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -75.07 -30.21 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 N-CA-C 109.905 -0.406 . . . . 25.0 109.905 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -63.08 -19.73 64.69 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.334 -0.848 . . . . 25.0 112.656 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -77.89 -43.11 31.09 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.806 0.442 . . . . 25.0 111.459 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -63.56 -42.64 98.33 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.899 0.88 . . . . 25.0 112.051 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.45 -18.75 65.54 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.996 -0.547 . . . . 25.0 112.435 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.472 0.642 0 C-N-CA 122.247 0.219 . . . . 25.0 111.425 175.429 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 CA--C 1.534 0.358 0 N-CA-C 111.444 0.164 . . . . 25.0 111.444 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.4 mt -86.97 -49.52 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 123.219 0.325 . . . . 25.0 111.817 -174.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 538' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' B' ' 542' ' ' PHE . . . -74.75 -10.24 59.33 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -175.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -97.25 -14.17 21.55 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.288 -0.869 . . . . 25.0 110.14 174.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 80.6 mtp -89.07 -28.51 20.07 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.099 -0.501 . . . . 25.0 111.276 172.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -93.11 -22.32 19.16 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.808 -0.633 . . . . 25.0 112.628 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 542' ' ' PHE . . . . . 0.486 ' HB2' ' O ' ' B' ' 538' ' ' ALA . 44.8 t80 -72.4 -30.17 64.41 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 111.496 0.184 . . . . 25.0 111.496 -176.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 93.6 p -81.92 -28.84 32.6 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.22 -0.445 . . . . 25.0 111.021 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 544' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -79.04 -28.29 43.21 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.795 -0.639 . . . . 25.0 111.428 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 545' ' ' LEU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 612' ' ' PHE . 76.6 mt -83.45 -20.13 34.61 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.242 0.617 . . . . 25.0 110.927 173.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' B' ' 546' ' ' LEU . 7.4 mt -76.6 -30.96 57.18 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.597 -0.729 . . . . 25.0 110.739 177.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.6 p -76.96 -16.3 59.39 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.718 -0.674 . . . . 25.0 112.065 175.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 548' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 90.7 mm-40 -76.18 -16.35 59.87 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.492 0.552 . . . . 25.0 112.492 -177.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 38.3 pt -104.69 -17.42 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-N 116.174 -0.467 . . . . 25.0 112.104 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 87.1 p -100.83 -29.87 12.01 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.406 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 117.993 -1.003 . . . . 25.0 112.032 -179.346 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 CA-C-O 120.349 -0.139 . . . . 25.0 112.986 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 591' ' ' TRP . . . . . 0.506 ' HZ3' ' CD1' ' A' ' 640' ' ' TYR . 68.8 p-90 -84.39 -33.84 23.69 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.258 0.623 . . . . 25.0 112.271 -177.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -68.32 -35.46 77.83 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.54 0.336 . . . . 25.0 111.62 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -86.1 -12.37 50.22 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.236 0.335 . . . . 25.0 111.462 177.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -97.49 -26.6 14.77 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.763 -0.653 . . . . 25.0 111.36 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.67 ' HA ' HD12 ' A' ' 599' ' ' LEU . 74.3 t -87.6 127.3 40.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 109.722 -0.473 . . . . 25.0 109.722 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 42.9 p -108.1 -179.99 4.05 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.516 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -76.76 -18.59 58.37 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.881 -0.599 . . . . 25.0 110.215 170.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -85.13 -31.42 23.31 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.84 -0.618 . . . . 25.0 111.227 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 595' ' ' VAL . 31.8 mt -65.4 -47.22 77.07 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 111.677 0.251 . . . . 25.0 111.677 175.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -57.6 -32.48 67.24 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.803 0.441 . . . . 25.0 111.733 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.4 p -73.43 -27.8 61.63 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.6 -0.727 . . . . 25.0 111.386 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -86.36 -21.23 27.33 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.864 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.2 -36.84 54.57 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.119 0.568 . . . . 25.0 109.994 175.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 48.3 t -71.27 -37.24 65.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.281 1.032 . . . . 25.0 110.465 172.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -73.71 -17.75 61.08 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 123.302 0.376 . . . . 25.0 110.592 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -85.5 -22.32 28.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.504 -0.771 . . . . 25.0 109.244 175.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.459 HD23 HG13 ' A' ' 657' ' ' ILE . 9.4 mt -86.13 -39.26 16.9 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.235 -1.348 . . . . 25.0 111.378 -178.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.4 t -73.83 -26.4 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 122.975 0.51 . . . . 25.0 111.381 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -81.76 -26.75 34.22 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.533 0.206 . . . . 25.0 111.396 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -80.47 -32.47 37.12 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.863 -0.608 . . . . 25.0 111.679 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.45 HG12 HG21 ' A' ' 660' ' ' ILE . 98.8 mt -77.68 -53.36 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 109.848 -0.427 . . . . 25.0 109.848 178.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.409 ' CG ' HD13 ' B' ' 545' ' ' LEU . 58.6 t80 -138.19 106.08 7.95 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 110.14 -0.318 . . . . 25.0 110.14 173.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -66.46 136.29 42.53 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 122.422 2.081 . . . . 25.0 112.195 173.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 44.7 p -105.54 114.45 63.11 Favored Pre-proline 0 C--O 1.236 0.385 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 -175.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -60.73 -51.03 5.43 Favored 'Trans proline' 0 C--N 1.369 1.656 0 C-N-CA 123.349 2.7 . . . . 25.0 112.521 166.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 36.4 t0 -104.12 122.98 42.32 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 114.763 -1.108 . . . . 25.0 111.273 178.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 55.4 Cg_endo -61.34 -10.11 14.9 Favored 'Trans proline' 0 C--N 1.377 2.065 0 C-N-CA 122.956 2.437 . . . . 25.0 114.108 174.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.51 -8.27 56.85 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.52 -8.18 59.69 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 88.7 mt -82.17 -9.24 59.58 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.142 -0.481 . . . . 25.0 112.087 -176.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -105.53 14.47 28.52 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 121.042 0.449 . . . . 25.0 110.226 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -85.9 163.84 17.82 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.894 -0.593 . . . . 25.0 111.046 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -78.76 -52.19 8.72 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.987 -0.551 . . . . 25.0 111.6 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -62.99 -27.96 69.77 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 54.8 tpp -76.0 -38.56 57.22 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.765 0.426 . . . . 25.0 110.731 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.03 -20.36 65.86 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.356 0.663 . . . . 25.0 112.211 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -70.65 -42.02 71.36 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 122.764 0.426 . . . . 25.0 111.988 -176.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 95.7 mt -86.32 -21.85 27.06 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.945 0.153 . . . . 25.0 110.875 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.427 HG12 ' HD2' ' A' ' 633' ' ' LYS . 3.2 t -55.01 -32.88 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 166.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -79.94 -18.83 49.45 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.649 -1.16 . . . . 25.0 111.63 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 631' ' ' TYR . . . . . 0.508 ' O ' ' HB3' ' A' ' 634' ' ' LYS . 38.4 t80 -75.09 -42.23 57.15 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.43 170.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.47 -24.58 29.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.364 -0.38 . . . . 25.0 111.942 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.427 ' HD2' HG12 ' A' ' 629' ' ' VAL . 62.1 mttt -71.39 -19.04 62.32 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.436 0.636 . . . . 25.0 110.164 172.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 631' ' ' TYR . 15.4 ttpt -79.05 -47.63 15.85 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 114.405 -1.27 . . . . 25.0 111.952 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 29.7 m -72.99 -37.49 53.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 114.312 1.227 . . . . 25.0 114.312 -159.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -53.36 -31.76 46.12 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -70.42 -19.73 76.37 Favored Glycine 0 C--N 1.347 1.155 0 O-C-N 123.379 0.424 . . . . 25.0 113.31 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -86.19 -19.39 30.12 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 122.807 0.443 . . . . 25.0 110.592 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.626 ' HG2' ' HB2' ' A' ' 652' ' ' LEU . 15.8 mtt -80.54 -22.09 41.15 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.16 -0.473 . . . . 25.0 111.992 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.506 ' CD1' ' HZ3' ' A' ' 591' ' ' TRP . 44.2 t80 -77.87 -29.3 50.26 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.091 -0.504 . . . . 25.0 111.536 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -89.05 -25.69 21.81 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.067 -0.515 . . . . 25.0 112.076 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.2 m -91.62 -46.0 8.17 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.449 0.537 . . . . 25.0 112.449 -174.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.48 152.1 27.5 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 -177.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -115.9 -12.84 11.35 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.637 -0.71 . . . . 25.0 112.123 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 55.4 p -132.18 -178.81 5.07 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 123.054 0.221 . . . . 25.0 111.288 -177.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -81.26 -36.4 29.97 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 122.492 0.317 . . . . 25.0 111.338 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -78.64 -21.59 48.16 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.358 0.411 . . . . 25.0 111.356 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -86.2 -40.01 16.04 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.293 0.37 . . . . 25.0 110.246 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -56.44 -52.61 64.02 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.27 0.628 . . . . 25.0 111.534 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.53 ' HA ' HD23 ' A' ' 653' ' ' LEU . 19.7 m-85 -67.22 -15.7 63.85 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 112.772 0.656 . . . . 25.0 112.772 177.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -79.63 -36.01 38.54 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.343 0.498 . . . . 25.0 112.343 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.626 ' HB2' ' HG2' ' A' ' 639' ' ' MET . 80.6 mt -66.58 -26.15 66.97 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 177.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.551 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -84.6 -30.82 24.66 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.636 0.374 . . . . 25.0 111.634 178.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.86 -32.98 57.89 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 122.64 0.376 . . . . 25.0 111.82 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -74.73 -25.93 59.45 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 111.832 0.308 . . . . 25.0 111.832 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 652' ' ' LEU . 62.4 mttp -73.02 -26.25 61.25 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-O 121.214 0.531 . . . . 25.0 109.928 171.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.459 HG13 HD23 ' A' ' 607' ' ' LEU . 5.0 mt -74.42 -28.81 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 114.746 -1.115 . . . . 25.0 110.744 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -85.24 -33.73 22.14 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.609 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -71.5 -31.48 67.14 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.45 HG21 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -76.79 -31.45 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 CA-C-N 116.172 -0.467 . . . . 25.0 109.893 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -66.83 -20.1 65.87 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.359 -0.837 . . . . 25.0 112.286 173.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 662' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 665' ' ' GLU . 59.7 tttm -77.77 -39.55 43.73 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.276 0.472 . . . . 25.0 112.276 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -71.69 -37.39 70.71 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.704 0.402 . . . . 25.0 112.041 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.66 -19.77 65.91 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.943 -0.571 . . . . 25.0 112.482 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 665' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' A' ' 662' ' ' LYS . 64.9 mt-10 . . . . . 0 N--CA 1.476 0.84 0 C-N-CA 122.749 0.42 . . . . 25.0 112.078 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 120.944 0.402 . . . . 25.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 94.4 mt -86.4 -26.37 6.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.262 -0.881 . . . . 25.0 111.195 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.79 -17.47 47.46 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.4 0.889 . . . . 25.0 113.4 -173.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -93.84 -17.68 22.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.379 174.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 87.6 mtp -85.23 -33.08 22.29 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.827 -1.079 . . . . 25.0 110.137 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -86.07 -20.16 29.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.349 -0.841 . . . . 25.0 111.885 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -74.59 -29.92 61.5 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.578 0.228 . . . . 25.0 110.959 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.8 p -82.11 -23.39 35.72 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.463 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 544' ' ' ALA . . . . . 0.506 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.21 -23.71 30.39 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.224 -0.444 . . . . 25.0 112.058 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 545' ' ' LEU . . . . . 0.409 HD13 ' CG ' ' A' ' 612' ' ' PHE . 50.3 mt -78.87 -18.49 53.84 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.879 0.471 . . . . 25.0 112.163 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 90.5 mt -85.75 -28.9 24.28 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.907 0.384 . . . . 25.0 110.608 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.9 p -75.8 -16.17 60.14 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.191 -0.913 . . . . 25.0 112.143 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 548' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 71.9 mm-40 -76.69 -25.79 54.02 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.479 0.548 . . . . 25.0 112.479 -178.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 78.8 mt -99.69 -27.66 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 115.354 -0.839 . . . . 25.0 112.385 -178.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 70.0 p -95.81 -33.34 12.29 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.241 0.338 . . . . 25.0 111.81 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 N--CA 1.483 1.195 0 C-N-CA 123.959 0.904 . . . . 25.0 111.88 -179.74 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 112.885 -0.086 . . . . 25.0 112.885 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -84.55 -27.86 27.04 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.167 0.587 . . . . 25.0 112.522 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -13.56 61.08 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.103 0.252 . . . . 25.0 111.198 175.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -81.82 -32.5 31.21 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.064 0.394 . . . . 25.0 112.064 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -99.16 -23.12 15.35 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.475 0.546 . . . . 25.0 112.475 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 76.9 t -80.3 125.04 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 109.557 -0.535 . . . . 25.0 109.557 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 73.3 p -112.51 -176.0 2.81 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.347 -0.842 . . . . 25.0 111.463 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -76.08 -17.87 59.44 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.869 -0.605 . . . . 25.0 110.065 168.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.68 -35.07 27.15 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 115.86 -0.609 . . . . 25.0 111.928 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.603 HD21 ' OH ' ' A' ' 650' ' ' TYR . 26.8 tp -64.76 -47.24 78.89 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 111.559 0.207 . . . . 25.0 111.559 174.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -59.48 -23.61 62.9 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.446 0.536 . . . . 25.0 112.446 -176.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 94.9 p -83.84 -27.83 28.45 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.135 -0.484 . . . . 25.0 111.024 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -85.31 -22.45 28.52 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 122.767 0.427 . . . . 25.0 110.663 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 24.7 mt -73.96 -34.8 64.39 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.646 -0.706 . . . . 25.0 109.669 173.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 19.9 t -76.39 -34.24 24.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-N 114.7 -1.137 . . . . 25.0 110.794 172.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -70.94 -17.11 62.69 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.925 0.393 . . . . 25.0 110.297 174.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -82.93 -24.1 33.2 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.192 -0.913 . . . . 25.0 109.151 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.463 HD11 HD22 ' A' ' 653' ' ' LEU . 19.8 mt -86.86 -47.59 8.9 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.142 -1.39 . . . . 25.0 111.46 -176.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 63.7 t -65.25 -24.06 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.759 0.824 . . . . 25.0 111.504 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -84.97 -29.67 24.87 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.476 0.179 . . . . 25.0 111.262 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.5 -23.61 50.26 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.559 174.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 90.0 mt -85.42 -55.59 6.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 116.077 -0.51 . . . . 25.0 109.659 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.506 ' CZ ' ' HB3' ' B' ' 545' ' ' LEU . 81.7 t80 -138.14 102.67 8.2 Favored Pre-proline 0 CA--C 1.55 0.967 0 CA-C-N 116.54 -0.3 . . . . 25.0 110.473 175.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -77.17 135.48 15.28 Favored 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.577 2.185 . . . . 25.0 112.354 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 2.5 t -152.02 127.0 4.71 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -50.92 -51.51 11.04 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 123.953 3.102 . . . . 25.0 114.355 172.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 50.1 t0 -74.66 116.52 54.25 Favored Pre-proline 0 N--CA 1.472 0.648 0 CA-C-N 115.657 -0.702 . . . . 25.0 112.359 -177.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 58.4 Cg_endo -65.67 -10.26 25.83 Favored 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 122.821 2.348 . . . . 25.0 113.766 172.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -73.73 -8.36 55.69 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.706 0.632 . . . . 25.0 112.706 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -82.02 -17.28 47.35 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 122.612 0.365 . . . . 25.0 111.908 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 88.8 mt -82.98 -3.4 57.14 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.19 -0.459 . . . . 25.0 112.078 -177.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -105.15 14.44 29.14 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.043 0.449 . . . . 25.0 110.399 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -84.94 153.49 22.79 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.773 -0.649 . . . . 25.0 110.754 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -78.65 -38.84 38.61 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.453 -0.794 . . . . 25.0 110.86 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -73.8 -21.05 60.29 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 114.939 -1.028 . . . . 25.0 112.267 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -89.54 -36.54 15.29 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.312 0.382 . . . . 25.0 111.257 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -55.52 -20.54 13.33 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.278 0.631 . . . . 25.0 112.644 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.92 -38.56 83.07 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 111.85 0.315 . . . . 25.0 111.85 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 1.6 mt -87.04 -27.83 22.96 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 123.174 0.296 . . . . 25.0 111.151 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 72.1 t -58.25 -39.18 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 170.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -75.24 -18.64 60.06 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.876 -1.056 . . . . 25.0 111.4 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -77.74 -38.03 47.89 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.249 -0.887 . . . . 25.0 110.368 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.25 -21.46 31.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.841 -0.618 . . . . 25.0 111.811 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -60.91 -29.87 69.85 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.919 0.488 . . . . 25.0 112.188 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -85.26 -40.13 16.95 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.791 -0.641 . . . . 25.0 111.613 -175.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.652 ' O ' ' HG2' ' A' ' 639' ' ' MET . 98.0 t -66.98 -26.08 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 116.186 -0.461 . . . . 25.0 112.052 -171.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -68.46 -35.52 77.68 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 122.8 0.44 . . . . 25.0 110.601 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -84.87 -21.96 54.28 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.874 -0.603 . . . . 25.0 113.269 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -77.28 -19.46 56.46 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 122.698 0.399 . . . . 25.0 110.701 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.652 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 39.4 mmt -78.19 -20.75 51.26 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.692 -0.686 . . . . 25.0 111.908 177.162 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.522 ' CD1' ' C ' ' A' ' 640' ' ' TYR . 0.0 OUTLIER -74.18 -31.87 62.84 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.897 -0.592 . . . . 25.0 111.309 -178.302 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.41 -21.94 24.01 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.262 -0.426 . . . . 25.0 111.77 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 92.7 p -92.79 -30.57 15.42 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.321 0.388 . . . . 25.0 112.022 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -99.24 143.01 29.99 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.207 0.317 . . . . 25.0 111.478 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -110.88 -10.17 14.42 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.889 -0.596 . . . . 25.0 111.867 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 67.6 m -132.26 158.78 40.92 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.361 -0.381 . . . . 25.0 110.628 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -72.01 -25.41 61.81 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.899 0.703 . . . . 25.0 112.899 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 647' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 99.1 m-20 -81.58 -24.33 36.56 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.241 0.338 . . . . 25.0 111.066 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -86.37 -39.21 16.65 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.312 0.383 . . . . 25.0 110.181 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -58.21 -50.73 72.53 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.405 0.682 . . . . 25.0 111.429 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.603 ' OH ' HD21 ' A' ' 599' ' ' LEU . 19.4 m-85 -76.4 -16.12 59.78 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.169 0.803 . . . . 25.0 113.169 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 651' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 86.1 t60 -83.23 -44.17 15.29 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 111.676 0.251 . . . . 25.0 111.676 -176.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.624 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 82.7 mt -54.64 -38.04 66.39 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.493 0.717 . . . . 25.0 112.615 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.463 HD22 HD11 ' A' ' 607' ' ' LEU . 95.0 mt -72.36 -34.74 68.2 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.711 -0.677 . . . . 25.0 111.677 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -72.52 -23.61 61.03 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.308 0.38 . . . . 25.0 110.875 174.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -72.56 -38.18 68.01 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.703 -0.681 . . . . 25.0 111.863 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -67.62 -28.62 67.89 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 173.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 26.3 mt -71.62 -28.4 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 115.286 -0.87 . . . . 25.0 110.79 -176.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -84.47 -37.42 21.37 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.136 -0.484 . . . . 25.0 110.693 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -75.56 -30.37 59.66 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 123.486 0.491 . . . . 25.0 112.156 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 75.3 mt -71.64 -28.98 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 174.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -78.21 -19.58 53.53 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.477 -0.783 . . . . 25.0 112.143 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -80.56 -43.11 21.19 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.556 0.342 . . . . 25.0 111.455 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.91 -43.03 80.17 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 -174.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.58 -22.25 61.5 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 112.104 0.409 . . . . 25.0 112.104 172.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 CA--C 1.542 0.646 0 C-N-CA 122.684 0.394 . . . . 25.0 111.055 178.222 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 112.22 0.452 . . . . 25.0 112.22 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.7 mt -87.24 -30.29 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 -176.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -80.12 -10.99 59.8 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.905 0.706 . . . . 25.0 112.905 -175.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -102.1 0.94 35.67 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.271 -0.877 . . . . 25.0 109.515 173.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 87.5 mtp -98.75 -31.15 12.04 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.169 -0.923 . . . . 25.0 110.79 173.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -89.74 -19.97 24.13 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.082 0.553 . . . . 25.0 112.437 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -72.19 -24.73 61.46 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.225 0.21 . . . . 25.0 111.346 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 83.7 p -81.89 -29.39 32.44 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.167 -0.47 . . . . 25.0 111.512 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -79.12 -28.94 42.96 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.205 -0.452 . . . . 25.0 111.406 178.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 545' ' ' LEU . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 612' ' ' PHE . 87.4 mt -84.85 -14.75 46.99 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.696 -0.684 . . . . 25.0 111.148 174.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 44.8 tp -81.72 -30.14 32.63 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.258 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.4 p -76.0 -16.18 60.01 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.047 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -74.26 -21.75 59.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.997 0.519 . . . . 25.0 112.255 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 89.4 mt -90.74 -28.34 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 115.192 -0.913 . . . . 25.0 110.696 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 81.0 p -92.27 -41.85 10.17 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.521 -0.309 . . . . 25.0 111.783 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 37.7 p . . . . . 0 C--O 1.249 1.073 0 CA-C-O 117.985 -1.007 . . . . 25.0 110.979 179.762 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.591 0 N-CA-C 114.137 0.415 . . . . 25.0 114.137 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -84.45 -35.58 22.92 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.949 0.374 . . . . 25.0 111.299 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -63.84 -38.42 91.03 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.608 0.763 . . . . 25.0 112.161 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -88.35 -8.7 54.66 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.779 0.323 . . . . 25.0 111.588 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -96.9 -25.99 15.23 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.783 -0.644 . . . . 25.0 111.419 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.532 HG13 HD23 ' A' ' 599' ' ' LEU . 32.3 t -82.34 136.28 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-O 120.884 0.374 . . . . 25.0 110.478 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.0 p -107.77 -179.93 4.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.434 -0.803 . . . . 25.0 111.573 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -78.09 -18.44 55.71 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.83 -0.623 . . . . 25.0 110.096 169.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -83.04 -25.41 32.15 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.765 -0.652 . . . . 25.0 111.252 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.532 HD23 HG13 ' A' ' 595' ' ' VAL . 38.0 tp -66.24 -50.96 61.99 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 122.907 0.129 . . . . 25.0 111.286 174.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -56.35 -31.25 63.59 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.065 0.546 . . . . 25.0 111.974 -175.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.6 p -77.97 -27.9 49.26 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.263 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -84.03 -20.91 31.93 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.05 -0.523 . . . . 25.0 110.681 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 50.5 mt -78.25 -36.13 47.28 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.429 0.691 . . . . 25.0 109.636 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 608' ' ' VAL . 48.1 t -72.21 -37.59 59.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-N 114.85 -1.068 . . . . 25.0 110.604 171.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.599 ' HA ' HG22 ' A' ' 608' ' ' VAL . 85.9 t60 -72.3 -16.78 61.9 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.243 0.339 . . . . 25.0 110.482 175.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.83 -22.45 29.46 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.276 174.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.561 HD23 ' HB1' ' A' ' 632' ' ' ALA . 3.8 tp -86.67 -45.04 11.36 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 114.198 -1.364 . . . . 25.0 111.518 -178.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.599 HG22 ' HA ' ' A' ' 605' ' ' HIS . 33.8 m -69.12 -26.54 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 123.583 0.753 . . . . 25.0 111.649 -177.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -81.68 -37.01 28.1 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.908 0.385 . . . . 25.0 110.686 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.35 72.47 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.249 -0.887 . . . . 25.0 111.719 175.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.617 HG21 HD21 ' A' ' 628' ' ' LEU . 91.7 mt -84.23 -49.45 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 176.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' A' ' 612' ' ' PHE . 26.2 p90 -141.32 106.85 6.09 Favored Pre-proline 0 CA--C 1.552 1.055 0 O-C-N 123.291 0.369 . . . . 25.0 110.599 174.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -75.98 139.41 21.81 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.444 2.096 . . . . 25.0 112.479 173.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 27.4 m -153.17 129.07 5.2 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 116.298 -0.41 . . . . 25.0 111.782 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -48.61 -58.04 1.99 Allowed 'Trans proline' 0 C--N 1.371 1.729 0 C-N-CA 123.827 3.018 . . . . 25.0 114.242 173.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 38.8 t0 -89.8 116.62 66.8 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.945 -0.57 . . . . 25.0 111.812 -178.029 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 55.5 Cg_endo -64.42 -10.41 23.96 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.791 2.327 . . . . 25.0 114.233 174.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.61 -10.87 59.81 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -177.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 619' ' ' ALA . . . . . 0.622 ' HB1' HD11 ' B' ' 545' ' ' LEU . . . -84.77 -14.77 47.17 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 111.908 0.336 . . . . 25.0 111.908 178.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 620' ' ' LEU . 3.1 mt -85.2 3.9 37.14 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.067 -0.515 . . . . 25.0 112.173 -176.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -96.63 15.21 22.37 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.01 0.433 . . . . 25.0 110.994 -176.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -76.88 165.96 23.99 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.738 -0.664 . . . . 25.0 111.598 -174.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -71.74 -55.04 8.39 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 122.754 0.422 . . . . 25.0 111.923 -175.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -71.02 -19.74 62.47 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.02 0.528 . . . . 25.0 112.102 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.5 ttm -79.1 -36.83 40.08 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.603 0.361 . . . . 25.0 111.261 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -54.52 -20.23 7.38 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -73.52 -31.84 63.91 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 122.438 0.295 . . . . 25.0 111.686 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.617 HD21 HG21 ' A' ' 611' ' ' ILE . 21.1 tp -86.2 -32.98 20.91 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 122.7 0.4 . . . . 25.0 110.485 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.62 -35.77 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.076 0.55 . . . . 25.0 110.144 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -80.6 -19.08 46.3 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.245 -0.889 . . . . 25.0 111.782 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -41.75 67.85 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.219 -0.446 . . . . 25.0 110.301 170.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.561 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -83.33 -24.71 32.0 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.753 -177.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -73.74 -22.39 59.89 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.105 -0.498 . . . . 25.0 110.727 175.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -85.56 -36.08 20.67 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.213 -0.903 . . . . 25.0 111.561 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 39.7 t -73.8 -42.83 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 112.275 0.472 . . . . 25.0 112.275 -174.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -55.96 -31.85 63.33 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.762 0.825 . . . . 25.0 112.295 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -76.44 -19.15 78.51 Favored Glycine 0 C--N 1.344 0.983 0 O-C-N 123.38 0.425 . . . . 25.0 113.278 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -84.68 -19.47 32.78 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 122.666 0.386 . . . . 25.0 111.078 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.782 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 20.9 mtm -74.88 -20.85 59.56 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 178.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -79.13 -32.08 44.34 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.154 -0.476 . . . . 25.0 111.202 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -89.1 -26.5 21.32 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.072 -0.513 . . . . 25.0 112.177 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 m -88.86 -46.38 8.98 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 -174.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -83.77 153.08 24.31 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -114.22 -14.16 12.31 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.71 -0.677 . . . . 25.0 111.935 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.2 p -132.07 161.22 33.77 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.289 0.368 . . . . 25.0 110.438 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -74.36 -23.86 59.07 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.994 -0.548 . . . . 25.0 112.05 -174.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -81.3 -25.7 36.29 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.179 0.3 . . . . 25.0 111.472 176.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -85.58 -41.58 15.13 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.147 -0.479 . . . . 25.0 110.126 176.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 649' ' ' TYR . . . . . 0.433 ' HD1' ' O ' ' A' ' 639' ' ' MET . 79.1 t80 -56.98 -49.73 74.84 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.544 0.738 . . . . 25.0 111.29 178.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -66.41 -15.64 63.47 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -82.64 -42.99 17.49 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 -175.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.53 -22.56 61.84 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.2 0.444 . . . . 25.0 112.2 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.782 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 1.0 OUTLIER -87.67 -36.28 17.52 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.897 0.479 . . . . 25.0 110.918 177.663 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.19 -21.9 60.58 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.943 -0.571 . . . . 25.0 111.5 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -75.17 -38.37 60.9 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.042 -0.526 . . . . 25.0 112.143 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -68.65 -28.05 66.54 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.542 -0.54 . . . . 25.0 109.542 172.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 17.7 mt -72.59 -41.38 63.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 115.535 -0.757 . . . . 25.0 110.711 -176.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -78.25 -26.3 47.17 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 120.957 0.408 . . . . 25.0 110.416 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -78.07 -35.28 49.71 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 115.145 -0.934 . . . . 25.0 112.215 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 96.7 mt -80.22 -31.68 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 110.248 -0.279 . . . . 25.0 110.248 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.16 -19.14 64.21 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.862 -0.608 . . . . 25.0 112.276 174.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.05 -41.55 95.07 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.076 0.55 . . . . 25.0 111.946 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -71.94 -39.85 69.15 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 123.389 0.431 . . . . 25.0 111.234 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.33 -21.45 65.66 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.929 -0.578 . . . . 25.0 112.296 173.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 122.781 0.432 . . . . 25.0 111.587 -176.647 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 89.7 p . . . . . 0 CA--C 1.536 0.41 0 N-CA-C 112.133 0.42 . . . . 25.0 112.133 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.0 mt -86.71 -45.0 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -172.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -76.73 -10.93 59.73 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -171.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -101.44 -17.55 16.41 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.583 -0.735 . . . . 25.0 109.749 174.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 39.3 mtp -83.45 -22.2 32.68 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.653 -0.703 . . . . 25.0 110.917 170.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -85.59 -31.78 22.44 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.522 -0.763 . . . . 25.0 112.274 -175.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 542' ' ' PHE . . . . . 0.415 ' O ' ' CD1' ' B' ' 542' ' ' PHE . 4.2 t80 -85.52 -19.04 31.77 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 112.586 0.587 . . . . 25.0 112.586 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.0 p -64.43 -22.39 66.94 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.186 0.594 . . . . 25.0 112.388 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -82.19 -23.06 35.67 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 545' ' ' LEU . . . . . 0.622 HD11 ' HB1' ' A' ' 619' ' ' ALA . 14.6 tp -81.94 -15.27 54.39 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.0 mt -83.25 -33.26 26.08 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.02 0.438 . . . . 25.0 110.767 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.5 p -75.83 -16.52 60.07 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.185 -0.916 . . . . 25.0 112.354 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -83.12 -12.47 57.01 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.158 0.429 . . . . 25.0 112.158 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.0 mt -104.89 -32.16 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.86 -0.609 . . . . 25.0 110.381 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 85.7 p -95.82 -39.86 9.63 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.307 -0.406 . . . . 25.0 111.765 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 117.993 -1.003 . . . . 25.0 111.794 -179.483 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.857 0 N-CA-C 114.041 0.376 . . . . 25.0 114.041 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 30.1 p-90 -69.31 -31.79 70.49 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 -177.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -13.14 60.58 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 116.395 -0.366 . . . . 25.0 111.549 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.36 -26.98 26.16 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.502 0.556 . . . . 25.0 112.502 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -106.68 -24.04 12.25 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.056 0.762 . . . . 25.0 113.056 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.482 HG13 HD23 ' A' ' 599' ' ' LEU . 53.5 t -77.07 127.36 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 120.978 0.418 . . . . 25.0 110.343 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 53.6 p -111.28 -175.14 2.63 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.171 -0.922 . . . . 25.0 111.437 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -72.38 -18.3 61.75 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.901 -0.591 . . . . 25.0 109.962 168.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -78.4 -36.03 46.31 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 115.754 -0.657 . . . . 25.0 112.021 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.482 HD23 HG13 ' A' ' 595' ' ' VAL . 50.5 tp -62.47 -48.75 78.25 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 111.457 0.169 . . . . 25.0 111.457 173.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.481 ' O ' HG23 ' A' ' 604' ' ' VAL . 55.1 mtp180 -56.49 -30.13 62.6 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.105 0.562 . . . . 25.0 112.047 -175.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.8 p -78.53 -30.4 46.99 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.552 -0.749 . . . . 25.0 111.576 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -81.01 -21.21 40.38 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.038 0.447 . . . . 25.0 110.315 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.75 -32.58 60.05 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.179 0.992 . . . . 25.0 110.015 173.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 600' ' ' ARG . 77.6 t -83.33 -30.9 8.28 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.022 -0.99 . . . . 25.0 110.832 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -75.85 -17.24 59.89 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.661 0.384 . . . . 25.0 110.474 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -85.14 -25.52 27.41 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 122.059 0.933 . . . . 25.0 108.893 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.529 HD23 ' HB1' ' A' ' 632' ' ' ALA . 49.0 tp -87.12 -40.16 14.9 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 113.194 -1.821 . . . . 25.0 111.512 -177.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 42.5 t -74.72 -22.63 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.173 0.589 . . . . 25.0 111.549 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -83.43 -25.72 31.0 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.551 0.215 . . . . 25.0 111.352 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -79.01 -27.84 43.29 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.385 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.551 HG12 HG21 ' A' ' 660' ' ' ILE . 89.2 mt -81.19 -51.89 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 176.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.425 ' CG ' HD13 ' B' ' 545' ' ' LEU . 68.6 t80 -145.04 113.69 4.91 Favored Pre-proline 0 CA--C 1.549 0.912 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.117 171.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -65.77 135.13 40.32 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.347 2.031 . . . . 25.0 112.139 173.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.65 114.78 56.55 Favored Pre-proline 0 C--O 1.236 0.371 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 -175.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -61.56 -51.97 3.61 Favored 'Trans proline' 0 C--N 1.369 1.657 0 C-N-CA 123.359 2.706 . . . . 25.0 112.591 166.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -107.66 124.33 35.28 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 114.895 -1.048 . . . . 25.0 111.429 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -61.93 -9.99 16.1 Favored 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 123.109 2.539 . . . . 25.0 114.096 174.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.72 -7.99 57.3 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.808 0.67 . . . . 25.0 112.808 -177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.2 -8.28 59.5 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 80.3 mt -84.14 -4.88 59.1 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -107.42 14.72 25.64 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.84 0.353 . . . . 25.0 111.366 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -83.61 166.05 18.51 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.135 -0.484 . . . . 25.0 111.37 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -71.72 -54.71 9.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.948 0.499 . . . . 25.0 111.449 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -68.79 -29.74 68.17 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.773 0.656 . . . . 25.0 112.773 -177.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.2 tpt -77.76 -38.65 46.44 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.367 0.267 . . . . 25.0 111.677 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -56.71 -19.89 19.04 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.09 0.556 . . . . 25.0 112.205 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.55 -38.03 80.46 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.414 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 94.4 mt -86.47 -30.47 22.0 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 120.445 0.164 . . . . 25.0 110.907 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' A' ' 633' ' ' LYS . 74.5 t -56.34 -34.18 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 170.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -77.44 -18.64 57.02 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 114.869 -1.06 . . . . 25.0 111.42 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 631' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 3.9 t80 -74.54 -41.84 59.89 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.688 0.395 . . . . 25.0 110.27 169.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.529 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -81.8 -25.53 35.16 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.938 -0.573 . . . . 25.0 112.397 -173.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 629' ' ' VAL . 24.2 mttt -69.58 -27.09 64.82 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.695 0.628 . . . . 25.0 112.695 -176.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm -82.23 -35.44 28.19 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.816 0.446 . . . . 25.0 111.401 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.446 HG11 ' HD2' ' A' ' 656' ' ' LYS . 78.6 t -70.03 -46.26 73.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 115.567 -0.742 . . . . 25.0 112.59 -168.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -55.66 -30.86 61.75 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.43 0.692 . . . . 25.0 112.135 -175.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -80.13 -19.48 69.56 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 116.287 -0.415 . . . . 25.0 113.141 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -84.98 -19.74 31.62 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 122.745 0.418 . . . . 25.0 110.968 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.706 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 45.1 mtm -73.56 -20.85 60.52 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.154 0.427 . . . . 25.0 112.154 177.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.566 ' CD1' ' C ' ' A' ' 640' ' ' TYR . 0.0 OUTLIER -78.6 -31.87 47.3 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.746 0.418 . . . . 25.0 111.857 -176.31 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.478 ' HG2' ' CE2' ' A' ' 640' ' ' TYR . 3.3 mm-40 -88.25 -22.71 23.8 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.322 0.389 . . . . 25.0 111.957 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 29.9 m -90.57 -44.82 9.31 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.049 0.388 . . . . 25.0 112.049 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.56 159.89 16.23 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.318 0.386 . . . . 25.0 111.978 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -120.08 -19.77 7.67 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.926 -0.579 . . . . 25.0 111.475 -178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 80.1 p -132.0 159.07 39.83 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.323 0.249 . . . . 25.0 110.641 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 8.1 ptt-85 -68.76 -19.59 64.33 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.019 0.748 . . . . 25.0 113.019 -175.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 647' ' ' ASP . . . . . 0.441 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 79.0 m-20 -81.21 -30.39 34.29 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 123.211 0.319 . . . . 25.0 110.73 177.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -86.39 -45.53 11.1 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 123.413 0.446 . . . . 25.0 110.37 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 649' ' ' TYR . . . . . 0.409 ' HD2' ' CD1' ' A' ' 650' ' ' TYR . 83.6 t80 -55.85 -52.03 65.47 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.678 0.791 . . . . 25.0 111.488 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.409 ' CD1' ' HD2' ' A' ' 649' ' ' TYR . 16.9 m-30 -64.28 -15.61 60.51 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 173.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 651' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 1.2 t60 -83.42 -42.78 16.59 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.23 0.456 . . . . 25.0 112.23 -175.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.26 -23.79 62.67 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 112.31 0.485 . . . . 25.0 112.31 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.706 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -87.26 -34.94 18.76 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 122.774 0.43 . . . . 25.0 110.549 177.305 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -72.28 -22.35 61.23 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.848 -0.615 . . . . 25.0 111.325 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -76.39 -36.74 57.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.871 -0.604 . . . . 25.0 112.205 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.446 ' HD2' HG11 ' A' ' 635' ' ' VAL . 57.3 mttp -71.3 -26.25 62.78 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 172.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 6.4 mt -71.89 -30.0 35.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 115.27 -0.877 . . . . 25.0 110.425 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -84.4 -33.44 23.76 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.211 -0.45 . . . . 25.0 111.093 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -77.53 -30.36 52.81 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 112.253 0.464 . . . . 25.0 112.253 -177.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.551 HG21 HG12 ' A' ' 611' ' ' ILE . 90.9 mt -76.94 -29.64 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 176.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -70.8 -19.65 62.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.489 -0.778 . . . . 25.0 111.85 172.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -79.29 -40.72 29.75 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.776 0.43 . . . . 25.0 112.107 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -69.12 -41.69 77.05 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.605 0.594 . . . . 25.0 112.605 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 68.2 mt -60.0 -21.15 60.92 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 112.486 0.55 . . . . 25.0 112.486 173.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 . . . . . 0 N--CA 1.472 0.642 0 C-N-CA 122.518 0.327 . . . . 25.0 111.479 177.043 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 87.4 p . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 120.668 0.271 . . . . 25.0 110.718 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.54 -32.06 6.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 115.677 -0.692 . . . . 25.0 110.938 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.77 -11.19 59.11 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -99.03 -11.76 21.2 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.564 -0.744 . . . . 25.0 109.92 174.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 97.7 mtp -94.4 -27.57 15.98 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.569 -0.741 . . . . 25.0 110.995 172.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 541' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 84.1 m-20 -89.45 -19.61 24.92 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.536 -0.757 . . . . 25.0 111.608 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -72.33 -28.13 62.87 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 122.975 0.172 . . . . 25.0 111.243 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 99.4 p -81.93 -23.94 35.89 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.4 0.438 . . . . 25.0 111.659 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 544' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.35 -22.61 30.49 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.164 0.431 . . . . 25.0 112.164 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 545' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 85.7 mt -83.18 -18.2 40.19 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.321 0.489 . . . . 25.0 112.321 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.2 mt -84.55 -28.86 26.35 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.944 0.402 . . . . 25.0 110.805 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.6 p -75.89 -15.57 60.18 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.257 -0.883 . . . . 25.0 112.348 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 548' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 93.8 mm-40 -69.02 -14.09 62.83 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 112.902 0.705 . . . . 25.0 112.902 -176.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 78.9 mt -104.73 -25.23 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 85.7 p -95.06 -41.45 9.12 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.177 0.298 . . . . 25.0 111.683 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--O 1.253 1.265 0 CA-C-O 118.699 -0.667 . . . . 25.0 111.01 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.511 0 N-CA-C 114.703 0.641 . . . . 25.0 114.703 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -68.15 -33.13 73.9 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.14 0.576 . . . . 25.0 112.535 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.19 -12.91 60.4 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.325 0.25 . . . . 25.0 111.155 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -81.97 -21.52 37.12 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.132 -0.485 . . . . 25.0 111.899 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -115.13 -24.13 8.68 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.752 0.649 . . . . 25.0 112.752 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 77.7 t -80.44 125.24 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-O 121.042 0.449 . . . . 25.0 110.038 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 73.2 p -112.45 -175.61 2.72 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.074 -0.966 . . . . 25.0 111.164 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -75.29 -18.25 60.1 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.069 -0.514 . . . . 25.0 110.308 168.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -84.6 -36.03 22.31 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 115.881 -0.599 . . . . 25.0 112.246 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.63 -46.9 87.81 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 117.761 0.255 . . . . 25.0 111.472 176.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -55.43 -29.5 58.73 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.11 0.564 . . . . 25.0 111.999 -176.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 83.5 p -78.19 -32.17 49.89 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.507 -0.769 . . . . 25.0 111.798 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -82.97 -21.62 33.93 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.633 0.373 . . . . 25.0 110.711 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.522 ' CD1' ' OH ' ' A' ' 649' ' ' TYR . 37.5 mt -71.52 -31.59 67.22 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.772 0.829 . . . . 25.0 110.239 173.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 28.0 t -83.4 -33.55 10.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 115.098 -0.955 . . . . 25.0 110.869 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.539 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 80.1 t60 -74.94 -16.81 60.63 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 122.61 0.364 . . . . 25.0 110.789 176.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -85.76 -27.81 24.98 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 122.134 0.969 . . . . 25.0 108.671 176.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 14.3 tp -87.08 -37.97 16.93 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 113.017 -1.901 . . . . 25.0 111.619 -175.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 77.6 t -75.93 -24.76 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.163 0.585 . . . . 25.0 111.279 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 609' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 99.6 mm-40 -83.65 -25.81 30.44 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.491 0.186 . . . . 25.0 111.313 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -76.41 -31.86 58.18 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 116.036 -0.529 . . . . 25.0 111.275 174.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.613 HG12 HG21 ' A' ' 660' ' ' ILE . 88.5 mt -78.81 -56.46 7.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 N-CA-C 109.527 -0.545 . . . . 25.0 109.527 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -142.85 110.94 5.66 Favored Pre-proline 0 CA--C 1.547 0.841 0 O-C-N 123.328 0.392 . . . . 25.0 110.301 172.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -68.45 134.81 31.92 Favored 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 122.28 1.987 . . . . 25.0 112.215 173.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.409 ' CG2' ' HB3' ' A' ' 619' ' ' ALA . 0.1 OUTLIER -105.02 113.28 64.91 Favored Pre-proline 0 C--O 1.236 0.352 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 -177.439 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -59.96 -51.6 5.54 Favored 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 123.416 2.744 . . . . 25.0 112.634 167.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -107.06 123.19 39.16 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 114.813 -1.085 . . . . 25.0 111.098 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -60.83 -10.47 14.59 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 123.004 2.469 . . . . 25.0 114.25 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.24 -8.28 56.72 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 619' ' ' ALA . . . . . 0.409 ' HB3' ' CG2' ' A' ' 614' ' ' THR . . . -81.48 -17.72 47.67 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.724 0.41 . . . . 25.0 112.017 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 90.7 mt -81.19 2.4 27.87 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.222 -0.444 . . . . 25.0 112.159 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -101.49 14.58 31.53 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.111 0.481 . . . . 25.0 110.784 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.29 153.41 20.91 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.594 -0.73 . . . . 25.0 110.776 -177.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 14.4 mmp_? -79.66 -37.48 35.82 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.3 -0.864 . . . . 25.0 110.76 -176.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.411 ' CZ ' ' HB1' ' B' ' 544' ' ' ALA . 62.6 mtm180 -72.59 -28.03 62.54 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 114.816 -1.084 . . . . 25.0 112.049 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -80.9 -37.08 30.29 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 122.572 0.349 . . . . 25.0 111.063 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.33 -20.31 18.42 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.426 0.691 . . . . 25.0 112.446 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -70.84 -35.81 72.6 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 96.0 mt -86.44 -29.75 22.59 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 110.482 -0.192 . . . . 25.0 110.482 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.47 -32.33 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 122.869 0.468 . . . . 25.0 109.834 170.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -80.59 -19.25 45.95 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 114.95 -1.023 . . . . 25.0 111.525 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 631' ' ' TYR . . . . . 0.412 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 75.0 t80 -74.13 -41.74 61.11 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.858 0.463 . . . . 25.0 110.112 169.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -79.33 -37.86 36.58 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.053 -0.521 . . . . 25.0 111.941 -174.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -66.31 -21.49 66.26 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.145 0.578 . . . . 25.0 111.037 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -86.24 -37.23 18.82 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.206 -0.906 . . . . 25.0 112.217 -177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.501 HG11 ' HD2' ' A' ' 656' ' ' LYS . 25.5 t -67.53 -48.07 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 N-CA-C 113.487 0.921 . . . . 25.0 113.487 -168.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -63.78 -21.58 66.49 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 112.937 0.717 . . . . 25.0 112.937 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -72.37 -26.33 72.23 Favored Glycine 0 C--N 1.344 0.985 0 O-C-N 123.207 0.317 . . . . 25.0 112.687 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -87.53 -19.04 28.45 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 122.936 0.494 . . . . 25.0 110.739 176.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.607 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 31.9 mmt -70.35 -26.01 63.55 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -78.08 -25.1 47.46 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.48 -0.327 . . . . 25.0 111.271 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -88.94 -23.34 22.71 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.243 -0.435 . . . . 25.0 111.834 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 55.1 p -96.12 -39.1 9.88 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 -176.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -89.66 153.79 20.46 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.714 0.264 . . . . 25.0 111.714 -177.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -121.73 -14.11 8.19 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.91 -0.586 . . . . 25.0 111.147 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 51.5 p -131.97 165.48 23.85 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.628 -0.26 . . . . 25.0 110.848 -176.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -68.97 -31.82 70.95 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.075 0.55 . . . . 25.0 111.705 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 647' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 98.9 m-20 -80.73 -23.69 39.29 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.053 0.39 . . . . 25.0 112.053 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -86.44 -38.29 17.48 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.945 -0.391 . . . . 25.0 109.945 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 649' ' ' TYR . . . . . 0.522 ' OH ' ' CD1' ' A' ' 603' ' ' LEU . 0.8 OUTLIER -58.97 -54.73 43.8 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.067 0.547 . . . . 25.0 111.316 177.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -72.1 -21.48 61.48 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.809 1.04 . . . . 25.0 113.809 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 651' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 2.1 m80 -81.3 -34.23 32.08 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 111.71 0.263 . . . . 25.0 111.71 -177.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.607 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 72.3 mt -61.99 -38.2 87.72 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.392 0.677 . . . . 25.0 112.295 175.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.62 -30.29 61.6 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.935 -0.575 . . . . 25.0 112.312 173.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.433 ' O ' ' CD1' ' A' ' 658' ' ' TYR . . . -78.38 -27.0 46.78 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -76.18 -30.88 58.24 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.233 0.456 . . . . 25.0 112.233 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.501 ' HD2' HG11 ' A' ' 635' ' ' VAL . 23.5 mttm -69.93 -28.67 65.77 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 171.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 3.5 mt -67.68 -32.0 54.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 114.964 -1.016 . . . . 25.0 110.698 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 658' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 654' ' ' ALA . 60.7 m-85 -85.56 -34.43 21.48 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.284 -0.416 . . . . 25.0 111.461 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -71.78 -33.7 68.82 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.613 HG21 HG12 ' A' ' 611' ' ' ILE . 96.8 mt -74.12 -28.69 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 116.105 -0.498 . . . . 25.0 109.849 177.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -70.37 -19.8 63.0 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.38 -0.827 . . . . 25.0 111.917 171.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 662' ' ' LYS . . . . . 0.515 ' O ' ' HB2' ' A' ' 665' ' ' GLU . 30.2 ttpt -81.09 -38.08 27.89 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.973 0.509 . . . . 25.0 112.243 178.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -70.31 -41.1 73.74 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 122.982 0.513 . . . . 25.0 112.261 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.19 -21.62 66.33 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 116.066 -0.515 . . . . 25.0 112.28 172.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 665' ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' A' ' 662' ' ' LYS . 12.5 mm-40 . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 122.875 0.47 . . . . 25.0 111.091 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 65.1 p . . . . . 0 N--CA 1.467 0.38 0 CA-C-O 120.84 0.352 . . . . 25.0 110.735 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.5 mt -86.63 -32.4 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-N 115.305 -0.861 . . . . 25.0 110.926 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -82.26 -11.82 58.42 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -177.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -102.09 -7.69 22.07 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.406 -0.815 . . . . 25.0 109.528 174.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 49.6 ttm -95.21 -32.07 13.21 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.029 -0.987 . . . . 25.0 109.858 174.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 541' ' ' ASP . . . . . 0.49 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 98.5 m-20 -88.34 -19.75 26.26 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.268 -0.878 . . . . 25.0 111.927 -177.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -71.67 -26.25 62.45 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.418 0.152 . . . . 25.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 95.0 p -81.9 -26.45 34.1 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.132 -0.485 . . . . 25.0 111.577 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 544' ' ' ALA . . . . . 0.411 ' HB1' ' CZ ' ' A' ' 624' ' ' ARG . . . -84.23 -22.84 30.69 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.282 -0.417 . . . . 25.0 111.814 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 545' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 71.0 mt -80.16 -15.86 56.15 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.119 -0.491 . . . . 25.0 112.311 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 95.6 mt -81.29 -26.22 35.88 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 121.05 0.452 . . . . 25.0 110.626 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 60.6 p -75.83 -15.73 60.19 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.104 -0.953 . . . . 25.0 112.116 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -70.37 -12.9 61.89 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.085 0.772 . . . . 25.0 113.085 -176.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 40.9 pt -104.81 -17.81 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 112.365 0.505 . . . . 25.0 112.365 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 78.5 p -98.87 -40.53 8.05 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.538 -0.301 . . . . 25.0 111.303 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 C--O 1.252 1.188 0 CA-C-O 118.836 -0.602 . . . . 25.0 110.894 -179.893 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.871 0 N-CA-C 114.142 0.417 . . . . 25.0 114.142 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -68.0 -32.61 73.11 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.59 0.589 . . . . 25.0 112.59 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -73.35 -18.94 61.12 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.598 -0.274 . . . . 25.0 111.587 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -75.28 -29.1 60.01 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.675 0.62 . . . . 25.0 112.675 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -107.87 -24.74 11.53 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.413 ' HA ' HD12 ' A' ' 599' ' ' LEU . 53.5 t -78.98 126.85 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 109.738 -0.467 . . . . 25.0 109.738 178.047 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 73.3 p -111.16 -175.42 2.7 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.387 -0.824 . . . . 25.0 111.757 -174.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -73.12 -17.34 61.41 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.461 -0.79 . . . . 25.0 110.036 169.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -84.48 -31.15 24.69 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.862 -0.608 . . . . 25.0 111.523 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 595' ' ' VAL . 7.8 mt -66.52 -49.25 67.15 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 117.752 0.251 . . . . 25.0 111.302 173.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 81.3 mtp85 -54.43 -25.56 25.58 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -176.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 86.1 p -84.89 -35.07 22.42 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.996 -0.547 . . . . 25.0 111.621 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -77.33 -25.57 51.27 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.84 0.456 . . . . 25.0 111.335 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 47.8 mt -69.72 -31.62 69.72 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.787 0.835 . . . . 25.0 110.892 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 96.7 t -83.12 -27.23 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.38 1.072 . . . . 25.0 110.276 175.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -78.56 -16.91 56.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.069 -0.514 . . . . 25.0 109.859 171.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -81.37 -26.63 35.36 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.272 -0.876 . . . . 25.0 108.813 174.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.991 HD13 ' HB1' ' A' ' 632' ' ' ALA . 0.5 OUTLIER -78.06 -57.88 3.56 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 113.896 -1.502 . . . . 25.0 110.746 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 71.2 t -61.15 -24.85 34.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 C-N-CA 123.683 0.793 . . . . 25.0 111.631 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -83.76 -36.17 23.81 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.686 0.395 . . . . 25.0 110.45 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -74.75 -23.31 58.53 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.082 -0.508 . . . . 25.0 111.775 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.526 HG12 HD13 ' A' ' 660' ' ' ILE . 80.4 mt -87.44 -54.25 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 116.066 -0.515 . . . . 25.0 109.964 178.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.516 ' CD2' HD13 ' B' ' 545' ' ' LEU . 87.9 t80 -139.69 116.11 8.26 Favored Pre-proline 0 CA--C 1.548 0.896 0 O-C-N 123.217 0.323 . . . . 25.0 110.469 176.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 613' ' ' PRO . . . . . 0.444 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 51.8 Cg_exo -62.3 138.1 69.65 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.405 2.07 . . . . 25.0 112.335 173.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 37.0 m -92.35 114.4 62.17 Favored Pre-proline 0 CA--C 1.534 0.357 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -174.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 87.7 Cg_exo -63.97 -56.36 0.49 Allowed 'Trans proline' 0 C--N 1.368 1.563 0 C-N-CA 123.444 2.763 . . . . 25.0 112.757 167.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 617' ' ' PRO . 2.5 t70 -127.11 140.36 37.63 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 115.295 -0.866 . . . . 25.0 111.515 -178.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 616' ' ' ASP . 42.2 Cg_exo -59.84 -13.3 21.82 Favored 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 123.966 3.111 . . . . 25.0 114.292 174.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -85.79 -19.91 30.01 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.346 0.499 . . . . 25.0 112.346 -178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -67.03 -9.44 39.12 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.794 0.664 . . . . 25.0 112.794 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 97.0 mt -86.48 0.51 54.08 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -175.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -103.12 14.76 31.05 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.154 0.502 . . . . 25.0 110.494 -177.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -84.08 149.87 25.94 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.606 -0.724 . . . . 25.0 111.028 -177.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -75.13 -46.19 35.99 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.069 -0.969 . . . . 25.0 111.675 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -65.21 -19.57 66.03 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.685 0.624 . . . . 25.0 112.685 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 10.0 ttt -86.82 -41.43 14.07 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.732 0.271 . . . . 25.0 111.732 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -57.48 -20.01 28.17 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.409 0.892 . . . . 25.0 113.409 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -69.47 -33.91 73.58 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 178.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.548 ' O ' ' HB2' ' A' ' 631' ' ' TYR . 31.9 mt -86.77 -30.08 21.85 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 110.52 -0.178 . . . . 25.0 110.52 176.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 65.0 t -53.92 -40.59 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 N-CA-C 109.55 -0.537 . . . . 25.0 109.55 171.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -70.99 -19.76 62.5 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.896 -1.047 . . . . 25.0 111.692 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 631' ' ' TYR . . . . . 0.548 ' HB2' ' O ' ' A' ' 628' ' ' LEU . 16.9 m-30 -75.97 -31.58 59.08 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.888 -0.597 . . . . 25.0 110.527 171.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.991 ' HB1' HD13 ' A' ' 607' ' ' LEU . . . -84.05 -32.28 24.93 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.282 -0.417 . . . . 25.0 111.706 177.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.67 -25.17 67.83 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 120.944 0.402 . . . . 25.0 111.18 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -85.35 -36.61 20.65 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.378 -0.828 . . . . 25.0 111.718 -176.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' A' ' 639' ' ' MET . 34.0 m -76.7 -25.96 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 112.075 0.398 . . . . 25.0 112.075 -175.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -81.78 -35.17 29.88 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.711 0.404 . . . . 25.0 111.372 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -84.33 -19.82 59.86 Favored Glycine 0 C--N 1.343 0.937 0 O-C-N 123.249 0.343 . . . . 25.0 113.584 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -87.52 -19.07 28.42 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.564 0.345 . . . . 25.0 111.302 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.634 ' SD ' ' HG ' ' A' ' 653' ' ' LEU . 65.1 mtt -78.61 -20.9 49.36 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -177.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 640' ' ' TYR . 0.0 OUTLIER -73.44 -25.43 60.51 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.767 0.427 . . . . 25.0 111.068 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.53 -24.0 23.03 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.075 -0.511 . . . . 25.0 111.831 178.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 87.1 p -95.78 -33.42 12.28 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.442 -0.345 . . . . 25.0 111.928 -176.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -91.13 146.0 24.21 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.192 0.307 . . . . 25.0 111.499 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -107.09 -18.26 13.95 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.038 -0.528 . . . . 25.0 111.162 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 80.1 p -131.98 161.48 33.03 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.407 -0.36 . . . . 25.0 110.717 -176.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 52.1 ptt85 -73.03 -22.17 60.68 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.862 -0.608 . . . . 25.0 111.727 -177.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -81.06 -27.75 35.59 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.276 0.36 . . . . 25.0 111.246 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -85.67 -41.69 14.95 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.623 0.369 . . . . 25.0 110.078 176.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -56.12 -48.79 75.52 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.374 0.669 . . . . 25.0 111.349 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -74.61 -16.81 60.78 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 177.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -84.71 -37.52 20.83 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.171 0.188 . . . . 25.0 111.293 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.28 -41.29 93.01 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.609 0.764 . . . . 25.0 112.384 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.634 ' HG ' ' SD ' ' A' ' 639' ' ' MET . 0.3 OUTLIER -71.92 -33.19 68.09 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.135 -0.484 . . . . 25.0 112.293 175.042 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.39 -29.72 57.23 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -77.32 -25.23 51.0 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -72.07 -31.18 65.87 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 109.144 -0.687 . . . . 25.0 109.144 169.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 7.8 mt -67.04 -36.26 76.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 114.647 -1.161 . . . . 25.0 111.21 -177.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 658' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 661' ' ' GLN . 21.1 m-30 -81.12 -28.67 35.06 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.538 0.524 . . . . 25.0 111.267 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -76.55 -22.0 54.92 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 116.317 -0.401 . . . . 25.0 111.161 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.526 HD13 HG12 ' A' ' 611' ' ' ILE . 63.8 mt -81.56 -22.52 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 173.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 661' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 658' ' ' TYR . 71.7 mt-30 -72.92 -38.0 67.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.089 -0.96 . . . . 25.0 112.274 176.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -64.15 -40.1 95.42 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.396 -0.82 . . . . 25.0 112.749 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -70.22 -40.79 74.31 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -175.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 99.7 mt -64.3 -18.58 64.74 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 173.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 113.238 0.829 . . . . 25.0 113.238 -176.705 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.6 p . . . . . 0 N--CA 1.466 0.355 0 CA-C-O 120.765 0.317 . . . . 25.0 111.33 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 537' ' ' ILE . . . . . 0.439 HG22 HD21 ' A' ' 628' ' ' LEU . 80.2 mt -86.57 -29.94 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.465 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.77 -11.3 59.06 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.018 0.747 . . . . 25.0 113.018 -176.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -100.58 -11.03 20.41 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.674 -0.694 . . . . 25.0 109.855 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 81.0 mmm -93.72 -28.66 15.81 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.307 -0.86 . . . . 25.0 110.745 173.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -91.64 -19.53 22.59 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.595 -0.729 . . . . 25.0 111.731 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -74.93 -27.25 60.13 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.474 0.178 . . . . 25.0 111.136 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 84.6 p -81.7 -24.21 36.33 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.833 0.453 . . . . 25.0 111.386 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -79.94 -28.37 39.69 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.325 0.391 . . . . 25.0 111.398 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 545' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' A' ' 612' ' ' PHE . 96.0 mt -84.23 -20.64 31.94 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.811 -0.631 . . . . 25.0 111.153 174.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 546' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 546' ' ' LEU . 9.3 mt -76.78 -28.66 55.75 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.643 -0.708 . . . . 25.0 110.712 177.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.5 p -76.59 -15.75 59.76 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.573 -0.739 . . . . 25.0 111.991 175.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -71.95 -14.34 61.89 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.083 0.771 . . . . 25.0 113.083 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 42.9 pt -104.93 -27.92 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 112.21 0.448 . . . . 25.0 112.21 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 91.4 p -96.17 -35.54 11.27 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.556 -0.293 . . . . 25.0 111.726 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 59.7 p . . . . . 0 C--O 1.249 1.068 0 CA-C-O 117.995 -1.002 . . . . 25.0 110.903 179.832 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.818 0 N-CA-C 114.687 0.635 . . . . 25.0 114.687 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 46.2 p-90 -63.41 -35.19 79.58 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.168 0.803 . . . . 25.0 113.168 -177.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -13.13 61.55 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.075 0.234 . . . . 25.0 111.555 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -83.33 -24.69 32.0 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.128 0.418 . . . . 25.0 112.128 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -112.29 -24.36 9.85 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.925 0.713 . . . . 25.0 112.925 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 89.9 t -79.07 124.02 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 70.3 p -113.61 -174.06 2.39 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.222 -0.899 . . . . 25.0 111.74 -177.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -74.95 -17.81 60.49 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.417 -0.81 . . . . 25.0 110.05 169.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -84.0 -36.59 23.04 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.547 -0.751 . . . . 25.0 111.466 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.99 -41.43 97.51 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.951 0.352 . . . . 25.0 111.951 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -64.25 -23.85 67.46 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 112.174 0.435 . . . . 25.0 112.174 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 86.2 p -84.46 -35.03 23.3 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.228 -0.442 . . . . 25.0 111.746 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -75.49 -34.2 60.84 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.787 0.435 . . . . 25.0 110.969 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.38 -25.54 66.01 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.314 0.646 . . . . 25.0 112.653 171.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 11.6 t -83.09 -27.84 7.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 115.756 -0.656 . . . . 25.0 110.171 172.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -78.13 -16.64 57.76 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.027 171.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -82.78 -29.67 29.46 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.038 -0.983 . . . . 25.0 108.762 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.46 HD23 ' HB1' ' A' ' 632' ' ' ALA . 23.1 tp -88.1 -38.74 15.15 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 113.114 -1.857 . . . . 25.0 111.905 -175.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 34.5 t -74.88 -22.08 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.26 0.624 . . . . 25.0 111.319 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -82.32 -25.89 33.51 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.663 0.268 . . . . 25.0 111.213 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -79.59 -22.42 43.76 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.743 -0.662 . . . . 25.0 111.47 174.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.417 ' CG1' HD13 ' A' ' 660' ' ' ILE . 87.3 mt -88.02 -59.44 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 109.745 -0.465 . . . . 25.0 109.745 177.081 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.448 ' CG ' HD13 ' B' ' 545' ' ' LEU . 80.1 t80 -139.64 102.39 7.15 Favored Pre-proline 0 CA--C 1.547 0.843 0 O-C-N 123.271 0.357 . . . . 25.0 110.442 176.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -82.55 140.83 10.81 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 122.183 1.922 . . . . 25.0 112.712 173.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.0 t -155.04 128.6 4.45 Favored Pre-proline 0 CA--C 1.544 0.745 0 CA-C-N 116.203 -0.453 . . . . 25.0 112.196 -177.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -50.48 -54.9 4.68 Favored 'Trans proline' 0 C--N 1.372 1.781 0 C-N-CA 124.074 3.182 . . . . 25.0 114.312 172.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.404 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 50.9 t0 -72.14 117.08 55.21 Favored Pre-proline 0 N--CA 1.473 0.688 0 CA-C-N 115.588 -0.733 . . . . 25.0 112.477 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 58.4 Cg_endo -65.4 -10.32 25.64 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.764 2.31 . . . . 25.0 113.989 173.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.31 -11.91 60.16 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.903 0.705 . . . . 25.0 112.903 -176.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.54 -16.08 46.85 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.007 0.373 . . . . 25.0 112.007 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.89 -1.92 57.76 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.115 -0.493 . . . . 25.0 112.04 -176.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -107.73 14.51 25.49 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.105 0.479 . . . . 25.0 110.491 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -82.72 162.7 21.69 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.854 -0.612 . . . . 25.0 110.869 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -78.39 -42.46 30.2 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.879 -0.6 . . . . 25.0 110.853 -176.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -74.21 -21.02 59.98 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 114.944 -1.025 . . . . 25.0 111.639 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 3.0 tpp -88.1 -37.26 16.38 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.388 -0.369 . . . . 25.0 111.05 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -56.86 -20.43 22.86 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 123.286 0.634 . . . . 25.0 112.364 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -69.56 -37.32 76.98 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.31 0.485 . . . . 25.0 112.31 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.505 HD21 HG22 ' B' ' 537' ' ' ILE . 23.2 mt -86.73 -28.4 23.09 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 121.271 -0.172 . . . . 25.0 110.761 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 54.5 t -56.88 -34.4 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 122.924 0.489 . . . . 25.0 109.858 171.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -83.46 -18.82 37.3 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.935 -1.03 . . . . 25.0 111.309 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -78.3 -35.68 47.5 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.528 -0.76 . . . . 25.0 110.383 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.46 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -83.2 -32.01 26.77 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.117 178.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -69.42 -19.3 63.79 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.721 -0.672 . . . . 25.0 110.631 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.83 -41.59 20.85 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.284 -0.871 . . . . 25.0 111.218 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 77.2 t -71.44 -43.84 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.02 0.378 . . . . 25.0 112.02 -174.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.458 ' HA ' ' CE ' ' A' ' 639' ' ' MET . 1.9 pp20? -54.01 -30.32 47.01 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.692 0.797 . . . . 25.0 112.197 -177.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 637' ' ' GLY . . . . . 0.431 ' O ' ' HD2' ' A' ' 640' ' ' TYR . . . -80.67 -19.62 67.83 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 116.308 -0.405 . . . . 25.0 113.419 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -85.45 -19.16 31.7 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.592 0.357 . . . . 25.0 111.802 178.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.661 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 68.3 mtm -70.87 -22.47 62.28 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 177.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.431 ' HD2' ' O ' ' A' ' 637' ' ' GLY . 0.0 OUTLIER -81.06 -29.85 34.91 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 116.492 -0.322 . . . . 25.0 111.14 -178.419 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -88.5 -21.71 24.02 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.267 -0.424 . . . . 25.0 111.818 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 78.2 p -94.65 -34.03 12.75 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.271 0.357 . . . . 25.0 111.871 -177.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -102.1 146.02 28.52 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.23 0.331 . . . . 25.0 111.726 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -114.03 -5.96 13.13 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.77 -0.65 . . . . 25.0 111.572 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 94.4 p -132.17 153.64 50.34 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.193 -0.458 . . . . 25.0 110.66 -177.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.547 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 0.2 OUTLIER -70.25 -24.35 63.06 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 -175.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 647' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 95.6 m-20 -81.47 -28.65 34.03 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 111.855 0.317 . . . . 25.0 111.855 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -86.02 -35.93 20.05 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.279 0.362 . . . . 25.0 110.382 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -60.36 -53.21 60.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.241 0.616 . . . . 25.0 111.036 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 646' ' ' ARG . 30.3 m-85 -71.49 -16.28 62.35 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 112.823 0.675 . . . . 25.0 112.823 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 651' ' ' HIS . . . . . 0.478 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 0.2 OUTLIER -84.83 -24.64 28.54 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.827 0.306 . . . . 25.0 111.827 -178.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 60.4 mt -73.89 -35.12 64.64 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.589 0.356 . . . . 25.0 111.903 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.661 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.9 OUTLIER -78.59 -30.61 46.77 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.729 174.896 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -78.58 -26.18 45.46 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.12 0.415 . . . . 25.0 112.12 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -78.25 -29.14 47.98 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 111.858 0.318 . . . . 25.0 111.858 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -70.51 -30.93 67.83 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 171.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 10.8 mt -68.6 -28.14 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 114.894 -1.048 . . . . 25.0 110.977 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -84.84 -32.89 23.02 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.3 -0.409 . . . . 25.0 110.785 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -75.88 -34.58 60.0 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.862 0.465 . . . . 25.0 112.156 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.417 HD13 ' CG1' ' A' ' 611' ' ' ILE . 59.0 mt -68.33 -32.23 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-O 121.048 0.451 . . . . 25.0 109.79 175.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -75.64 -19.26 59.31 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.1 -0.954 . . . . 25.0 112.139 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -80.5 -41.35 24.43 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.567 0.347 . . . . 25.0 111.909 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -71.22 -42.39 69.0 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 122.878 0.471 . . . . 25.0 111.763 -176.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.48 -18.83 62.27 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.533 -0.758 . . . . 25.0 112.552 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.475 0.802 0 C-N-CA 122.723 0.409 . . . . 25.0 111.14 -179.022 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 65.8 p . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 112.022 0.379 . . . . 25.0 112.022 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 537' ' ' ILE . . . . . 0.505 HG22 HD21 ' A' ' 628' ' ' LEU . 17.4 mt -86.62 -41.19 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 -172.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -79.57 -10.64 59.83 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 112.743 0.646 . . . . 25.0 112.743 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -100.2 -12.59 19.44 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.302 -0.863 . . . . 25.0 109.792 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 71.6 mtp -90.87 -27.37 18.84 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.854 -0.612 . . . . 25.0 111.169 171.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -89.85 -19.68 24.34 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.749 -0.659 . . . . 25.0 111.643 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -73.96 -24.4 59.63 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 111.646 0.239 . . . . 25.0 111.646 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.8 p -81.47 -23.57 37.34 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.806 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 544' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.08 -22.91 31.03 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.14 0.422 . . . . 25.0 112.14 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 545' ' ' LEU . . . . . 0.448 HD13 ' CG ' ' A' ' 612' ' ' PHE . 46.1 mt -82.44 -14.75 54.59 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.411 0.522 . . . . 25.0 112.411 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 71.5 mt -80.94 -33.03 34.28 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.001 0.429 . . . . 25.0 110.716 176.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.6 p -76.5 -15.96 59.76 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.226 -0.897 . . . . 25.0 112.228 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 548' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 25.0 mm100 -73.5 -12.5 60.81 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 -176.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 41.0 pt -104.66 -8.47 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 112.314 0.487 . . . . 25.0 112.314 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 67.2 p -99.35 -36.2 9.68 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.383 -0.371 . . . . 25.0 111.214 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 40.2 t . . . . . 0 C--O 1.253 1.26 0 CA-C-O 118.744 -0.646 . . . . 25.0 110.984 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.605 0 CA-C-O 119.698 -0.501 . . . . 25.0 113.935 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 8.7 p-90 -85.06 -36.39 21.25 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.996 0.398 . . . . 25.0 111.394 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -65.67 -34.96 79.42 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.249 0.62 . . . . 25.0 111.568 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -86.17 -18.97 30.81 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.333 0.396 . . . . 25.0 111.583 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -88.61 -26.45 21.9 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.802 -0.636 . . . . 25.0 111.121 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.471 HG13 HD23 ' A' ' 599' ' ' LEU . 31.2 t -85.89 132.2 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 53.3 p -108.59 -176.18 2.97 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.874 -0.603 . . . . 25.0 112.073 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -79.51 -18.1 52.65 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.235 -0.893 . . . . 25.0 110.146 171.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -82.49 -26.54 32.48 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-N 115.571 -0.74 . . . . 25.0 111.598 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.471 HD23 HG13 ' A' ' 595' ' ' VAL . 44.4 tp -65.71 -50.57 64.38 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 122.877 0.11 . . . . 25.0 111.242 172.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -57.77 -23.35 51.77 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.746 0.646 . . . . 25.0 112.746 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.8 p -84.24 -32.61 24.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.331 -0.395 . . . . 25.0 111.342 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -79.55 -23.28 42.94 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.891 0.476 . . . . 25.0 110.736 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -32.54 64.95 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.901 0.88 . . . . 25.0 110.367 174.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 40.8 t -83.33 -34.38 10.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-N 114.827 -1.079 . . . . 25.0 110.666 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -72.24 -17.77 61.88 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.377 0.423 . . . . 25.0 110.521 176.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -85.76 -22.4 27.75 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.554 -0.748 . . . . 25.0 109.422 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.622 HD23 ' HB1' ' A' ' 632' ' ' ALA . 2.4 tp -86.05 -37.93 18.38 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 114.449 -1.25 . . . . 25.0 111.254 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 40.6 t -70.23 -25.25 27.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 C-N-CA 123.493 0.717 . . . . 25.0 111.372 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -79.66 -36.59 37.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.062 0.458 . . . . 25.0 110.543 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -69.67 -21.9 63.48 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.02 -0.991 . . . . 25.0 112.148 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.401 ' CG1' HD13 ' A' ' 660' ' ' ILE . 76.6 mt -96.96 -59.33 3.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.224 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -144.84 104.14 4.51 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-O 119.578 -0.249 . . . . 25.0 110.794 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.2 133.03 10.66 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 122.391 2.061 . . . . 25.0 112.46 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 14.8 m -143.44 123.82 7.86 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -50.97 -52.85 8.22 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 124.174 3.249 . . . . 25.0 114.297 171.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -80.9 122.42 81.93 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.413 -0.812 . . . . 25.0 112.465 -175.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -64.08 -10.4 23.06 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 123.038 2.492 . . . . 25.0 113.937 172.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -71.7 -28.89 64.01 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.397 0.517 . . . . 25.0 112.397 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -86.06 -15.24 41.93 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.302 -0.408 . . . . 25.0 111.457 176.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.445 ' HA ' ' HG2' ' A' ' 625' ' ' MET . 83.0 mt -91.39 -21.98 20.71 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.677 -0.692 . . . . 25.0 110.916 -176.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -104.28 14.9 29.42 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 120.916 0.388 . . . . 25.0 110.918 -178.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -83.86 167.34 17.13 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.999 -0.546 . . . . 25.0 111.592 -175.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 92.5 mtm-85 -61.75 -54.8 37.54 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.215 0.606 . . . . 25.0 112.189 -177.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -20.3 65.99 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.27 0.628 . . . . 25.0 112.68 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.445 ' HG2' ' HA ' ' A' ' 620' ' ' LEU . 37.5 tpp -88.76 -39.64 13.78 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.081 0.238 . . . . 25.0 111.437 -177.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -54.14 -20.4 6.63 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 112.83 0.678 . . . . 25.0 112.83 -177.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -68.48 -36.79 79.45 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.518 0.327 . . . . 25.0 111.63 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.521 HD21 HG22 ' B' ' 537' ' ' ILE . 13.3 mt -86.97 -33.53 19.61 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 123.306 0.379 . . . . 25.0 110.862 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.415 HG12 ' HD2' ' A' ' 633' ' ' LYS . 73.3 t -56.28 -37.31 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 122.738 0.415 . . . . 25.0 110.004 172.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.594 ' HA ' ' HB2' ' A' ' 633' ' ' LYS . . . -80.67 -18.68 47.24 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.974 -1.012 . . . . 25.0 111.348 177.206 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 631' ' ' TYR . . . . . 0.454 ' O ' ' HB3' ' A' ' 634' ' ' LYS . 37.8 t80 -75.13 -35.82 61.65 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.488 -0.778 . . . . 25.0 110.603 175.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.622 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -84.33 -31.34 24.87 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.964 -0.562 . . . . 25.0 111.056 175.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.594 ' HB2' ' HA ' ' A' ' 630' ' ' ALA . 65.3 mttt -64.96 -19.16 65.83 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.816 -0.629 . . . . 25.0 110.315 171.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 631' ' ' TYR . 62.4 tttm -76.11 -53.79 7.79 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.722 -1.126 . . . . 25.0 111.12 176.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 632' ' ' ALA . 15.8 m -76.16 -23.83 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 115.504 -0.771 . . . . 25.0 112.596 -166.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.473 ' HA ' ' HE2' ' A' ' 639' ' ' MET . 3.0 pp20? -69.75 -34.91 74.45 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.044 0.537 . . . . 25.0 111.081 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -82.23 -20.65 62.2 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 116.169 -0.469 . . . . 25.0 113.617 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -82.08 -18.66 42.27 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.48 0.312 . . . . 25.0 111.551 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.521 ' HE1' HD22 ' A' ' 653' ' ' LEU . 26.9 mtm -73.31 -21.04 60.66 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.37 -0.377 . . . . 25.0 111.662 178.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -75.01 -31.71 61.46 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.317 0.647 . . . . 25.0 111.709 -176.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -88.55 -23.89 23.04 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.203 -0.453 . . . . 25.0 112.007 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 76.5 p -90.37 -36.36 14.67 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.009 0.374 . . . . 25.0 112.009 -176.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.72 156.23 18.23 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.67 0.388 . . . . 25.0 111.928 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -113.02 -18.99 12.06 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.881 -0.599 . . . . 25.0 111.718 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.3 p -132.6 157.7 44.08 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.244 -0.435 . . . . 25.0 110.475 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -73.31 -17.31 61.32 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -80.92 -28.23 35.87 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.316 0.385 . . . . 25.0 110.693 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -86.28 -42.45 13.74 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.271 -0.422 . . . . 25.0 110.294 176.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -56.17 -47.59 77.97 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.975 0.91 . . . . 25.0 111.894 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -69.2 -15.85 63.48 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.147 -0.479 . . . . 25.0 112.219 176.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.24 -24.18 30.12 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 -174.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.467 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 91.7 mt -72.94 -27.17 61.68 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 118.132 0.424 . . . . 25.0 111.572 176.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.521 HD22 ' HE1' ' A' ' 639' ' ' MET . 4.0 tp -87.24 -32.84 19.53 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.324 0.39 . . . . 25.0 111.428 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -74.22 -27.14 60.64 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.794 0.437 . . . . 25.0 112.007 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -78.42 -27.8 46.68 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.11 0.256 . . . . 25.0 111.682 177.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -71.17 -30.29 66.25 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 170.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 23.2 mt -67.95 -28.79 42.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.029 -0.987 . . . . 25.0 111.047 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -84.48 -33.83 23.51 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.266 -0.424 . . . . 25.0 110.728 178.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -76.76 -32.0 57.43 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.515 0.509 . . . . 25.0 112.156 -178.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.401 HD13 ' CG1' ' A' ' 611' ' ' ILE . 53.3 mt -68.72 -31.34 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.619 -0.512 . . . . 25.0 109.619 174.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -74.55 -19.56 60.29 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.304 -0.862 . . . . 25.0 112.296 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -78.66 -40.52 33.87 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.595 0.358 . . . . 25.0 111.412 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -67.42 -42.9 82.46 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.453 0.701 . . . . 25.0 111.931 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -73.94 -18.48 60.88 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.366 0.506 . . . . 25.0 112.366 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 . . . . . 0 CA--C 1.548 0.875 0 C-N-CA 122.988 0.515 . . . . 25.0 112.293 -177.276 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 29.8 m . . . . . 0 CA--C 1.532 0.269 0 N-CA-C 112.314 0.487 . . . . 25.0 112.314 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 537' ' ' ILE . . . . . 0.521 HG22 HD21 ' A' ' 628' ' ' LEU . 78.2 mt -81.67 -38.49 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -171.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.41 -11.0 59.41 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.774 0.657 . . . . 25.0 112.774 -175.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -101.88 -9.34 20.81 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.513 -0.767 . . . . 25.0 110.137 174.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 73.3 mtp -95.12 -29.02 14.78 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.764 -0.653 . . . . 25.0 111.233 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -90.76 -21.03 21.75 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.796 -0.638 . . . . 25.0 111.506 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -71.97 -24.64 61.63 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 111.86 0.319 . . . . 25.0 111.86 -176.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 79.9 p -81.51 -37.35 28.0 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.046 0.387 . . . . 25.0 112.046 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.0 -21.88 31.55 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.235 -0.438 . . . . 25.0 111.66 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 39.8 mt -84.37 -14.94 48.11 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.71 -0.677 . . . . 25.0 111.643 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 56.7 mt -82.0 -28.27 32.68 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 121.256 0.55 . . . . 25.0 110.108 168.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 6.1 p -71.84 -16.08 62.15 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.618 -1.173 . . . . 25.0 112.595 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -79.06 -11.51 60.0 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.08 0.4 . . . . 25.0 112.08 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 94.2 mt -97.06 -32.58 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 116.069 -0.514 . . . . 25.0 110.289 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 66.3 p -94.67 -32.79 13.22 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.379 -0.373 . . . . 25.0 111.612 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 N--CA 1.483 1.221 0 C-N-CA 124.131 0.973 . . . . 25.0 111.983 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 113.633 0.213 . . . . 25.0 113.633 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -84.31 -24.75 29.69 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.76 0.424 . . . . 25.0 112.026 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -74.7 -13.25 60.59 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 116.251 -0.432 . . . . 25.0 111.266 175.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -83.72 -30.46 26.69 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.375 0.509 . . . . 25.0 112.375 -177.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -103.47 -22.64 13.61 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.406 ' HA ' HD12 ' A' ' 599' ' ' LEU . 77.7 t -81.16 128.37 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 120.834 0.349 . . . . 25.0 110.105 178.183 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 53.3 p -111.13 -175.13 2.63 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.536 -0.757 . . . . 25.0 111.546 -177.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -69.6 -18.81 63.65 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.393 -0.821 . . . . 25.0 110.381 168.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -82.49 -37.5 25.23 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 115.829 -0.623 . . . . 25.0 112.299 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 595' ' ' VAL . 7.8 mt -60.31 -47.54 85.58 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 111.967 0.358 . . . . 25.0 111.967 175.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -60.36 -30.01 69.29 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.972 0.509 . . . . 25.0 111.782 -175.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.7 p -76.97 -27.3 54.71 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.524 -0.762 . . . . 25.0 111.548 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 602' ' ' HIS . . . . . 0.458 ' HA ' ' HB2' ' A' ' 605' ' ' HIS . 61.5 m170 -85.92 -21.4 27.97 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.663 0.385 . . . . 25.0 110.575 176.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 60.9 mt -76.29 -34.47 59.08 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.69 -0.686 . . . . 25.0 109.695 172.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 39.7 t -73.7 -35.01 42.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 115.134 -0.939 . . . . 25.0 110.819 172.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.458 ' HB2' ' HA ' ' A' ' 602' ' ' HIS . 6.8 m80 -74.47 -17.19 60.81 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.407 0.283 . . . . 25.0 110.919 177.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -85.18 -25.52 27.34 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.985 0.898 . . . . 25.0 109.017 174.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.8 mt -86.54 -43.63 12.57 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 113.328 -1.76 . . . . 25.0 111.322 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 78.7 t -70.4 -25.6 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.614 0.766 . . . . 25.0 111.35 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -84.82 -29.14 25.62 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.519 0.2 . . . . 25.0 111.333 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -71.39 -33.67 69.7 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.044 173.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.519 HG12 HG21 ' A' ' 660' ' ' ILE . 97.0 mt -76.54 -52.37 17.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 115.801 -0.636 . . . . 25.0 109.34 174.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -143.95 116.03 5.64 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 116.37 -0.377 . . . . 25.0 110.661 172.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.11 125.36 11.87 Favored 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.214 1.942 . . . . 25.0 112.375 175.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 77.0 p -100.48 113.52 65.51 Favored Pre-proline 0 CA--C 1.535 0.369 0 N-CA-C 112.899 0.703 . . . . 25.0 112.899 -175.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -62.24 -51.93 3.11 Favored 'Trans proline' 0 C--N 1.368 1.587 0 C-N-CA 123.4 2.733 . . . . 25.0 112.493 166.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -106.42 123.13 39.81 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 114.726 -1.124 . . . . 25.0 111.441 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -61.6 -10.14 15.66 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 123.043 2.495 . . . . 25.0 113.966 173.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.12 -8.14 56.99 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.631 0.604 . . . . 25.0 112.631 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -80.48 -9.25 59.77 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.054 0.391 . . . . 25.0 112.054 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 81.4 mt -84.74 0.4 50.69 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.996 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -105.5 14.44 28.62 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 121.031 0.443 . . . . 25.0 110.564 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -89.42 157.15 18.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.853 -0.612 . . . . 25.0 110.843 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 14.9 mmp_? -79.4 -38.43 34.86 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.484 -0.78 . . . . 25.0 110.855 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 -69.7 -27.27 64.86 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.954 -1.021 . . . . 25.0 112.421 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 54.3 ttm -90.03 -37.48 14.27 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 123.283 0.364 . . . . 25.0 111.485 -177.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -56.09 -21.55 22.78 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.308 0.643 . . . . 25.0 112.679 -177.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -73.21 -34.53 65.98 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.081 0.4 . . . . 25.0 112.081 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.414 HD21 HG22 ' B' ' 537' ' ' ILE . 94.5 mt -86.29 -31.56 21.55 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 123.14 0.275 . . . . 25.0 110.44 178.149 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.6 -34.51 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.062 0.545 . . . . 25.0 110.292 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -78.8 -18.88 53.38 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.213 -0.903 . . . . 25.0 111.795 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -78.68 -37.6 41.36 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.11 -0.495 . . . . 25.0 110.138 172.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.404 ' HA ' ' HB ' ' A' ' 635' ' ' VAL . . . -79.22 -33.64 43.54 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.519 0.512 . . . . 25.0 111.845 -177.066 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -64.99 -30.42 71.41 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.208 0.603 . . . . 25.0 111.689 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.407 ' HE3' ' OD2' ' A' ' 638' ' ' ASP . 47.4 tptt -82.95 -31.4 27.69 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.412 -0.813 . . . . 25.0 110.245 174.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' A' ' 632' ' ' ALA . 1.2 t -73.15 -21.26 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 115.027 -0.988 . . . . 25.0 112.505 -173.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -82.31 -30.77 30.31 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 122.437 0.295 . . . . 25.0 110.726 176.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -81.25 -27.76 47.46 Favored Glycine 0 C--N 1.346 1.097 0 N-CA-C 114.506 0.562 . . . . 25.0 114.506 -173.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 638' ' ' ASP . . . . . 0.407 ' OD2' ' HE3' ' A' ' 634' ' ' LYS . 97.1 m-20 -72.89 -18.85 61.38 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 117.003 0.402 . . . . 25.0 112.015 179.369 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.551 ' SD ' ' HB3' ' A' ' 653' ' ' LEU . 61.4 mtt -75.73 -20.52 58.28 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.945 -0.571 . . . . 25.0 112.467 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.597 ' CE2' ' HG3' ' A' ' 641' ' ' GLU . 0.0 OUTLIER -74.51 -28.91 61.2 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.162 -0.472 . . . . 25.0 111.552 -177.626 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.597 ' HG3' ' CE2' ' A' ' 640' ' ' TYR . 92.9 mt-10 -88.9 -21.81 23.44 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.165 -0.47 . . . . 25.0 112.029 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 34.7 m -92.47 -45.33 8.2 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -175.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -83.09 147.98 27.79 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.805 0.298 . . . . 25.0 111.805 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -105.74 -17.77 14.28 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.896 -0.593 . . . . 25.0 111.468 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 79.8 p -131.76 163.33 28.44 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.666 0.27 . . . . 25.0 110.917 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -72.92 -29.47 63.14 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.962 -175.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -81.37 -23.97 37.33 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.511 0.324 . . . . 25.0 111.871 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -85.56 -38.8 18.09 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.819 -0.437 . . . . 25.0 109.819 176.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 649' ' ' TYR . . . . . 0.46 ' HD2' ' CE2' ' A' ' 650' ' ' TYR . 71.4 t80 -55.26 -49.2 72.64 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.808 0.843 . . . . 25.0 111.78 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.577 ' HA ' HD23 ' A' ' 653' ' ' LEU . 21.2 m-30 -68.96 -15.92 63.61 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.66 0.615 . . . . 25.0 112.66 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.2 -24.75 34.76 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.687 0.625 . . . . 25.0 112.687 -174.073 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 95.0 mt -71.84 -31.67 66.74 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.006 0.372 . . . . 25.0 112.006 176.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.577 HD23 ' HA ' ' A' ' 650' ' ' TYR . 0.3 OUTLIER -86.08 -31.25 22.01 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.439 0.296 . . . . 25.0 111.639 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.464 ' N ' ' HG ' ' A' ' 653' ' ' LEU . . . -72.35 -28.65 63.18 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.716 0.406 . . . . 25.0 111.957 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 655' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 659' ' ' LYS . 95.7 mt-10 -78.81 -26.0 44.24 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.057 0.391 . . . . 25.0 112.057 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.4 ' HG3' ' CD1' ' A' ' 660' ' ' ILE . 50.9 tptt -74.03 -29.48 61.95 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 109.326 -0.62 . . . . 25.0 109.326 169.149 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 7.8 mt -68.84 -38.93 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.61 -0.723 . . . . 25.0 111.061 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -84.21 -26.15 28.94 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.942 0.401 . . . . 25.0 110.446 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 655' ' ' GLU . 81.7 mttt -79.35 -29.5 42.26 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.251 -0.886 . . . . 25.0 112.043 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.519 HG21 HG12 ' A' ' 611' ' ' ILE . 62.0 mt -80.2 -23.55 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 121.043 0.449 . . . . 25.0 110.059 175.281 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -70.45 -19.2 62.98 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.956 174.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -74.74 -41.91 59.25 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.904 0.482 . . . . 25.0 111.956 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -70.43 -46.75 63.29 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.376 0.671 . . . . 25.0 112.686 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.5 -21.44 60.15 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 112.303 0.482 . . . . 25.0 112.303 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 122.556 0.342 . . . . 25.0 111.02 179.875 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 89.7 p . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 112.21 0.448 . . . . 25.0 112.21 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 537' ' ' ILE . . . . . 0.414 HG22 HD21 ' A' ' 628' ' ' LEU . 96.0 mt -85.96 -43.34 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 111.798 0.296 . . . . 25.0 111.798 -173.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -77.9 -10.47 59.59 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.453 0.538 . . . . 25.0 112.453 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -101.1 -7.11 23.49 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.336 -0.847 . . . . 25.0 110.138 175.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 57.7 ttm -95.79 -30.54 13.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.961 -0.563 . . . . 25.0 111.158 171.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 541' ' ' ASP . . . . . 0.506 ' O ' ' HB2' ' B' ' 545' ' ' LEU . 28.4 m-20 -88.79 -19.51 25.9 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.977 -0.556 . . . . 25.0 112.338 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -75.51 -21.22 58.17 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 111.916 0.339 . . . . 25.0 111.916 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 88.5 p -81.58 -37.18 28.1 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.06 0.393 . . . . 25.0 112.06 -177.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -81.81 -21.63 37.55 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.804 0.442 . . . . 25.0 111.196 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 545' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' B' ' 541' ' ' ASP . 1.5 mp -77.89 -18.59 56.0 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 115.356 -0.838 . . . . 25.0 111.703 -178.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 69.7 mt -87.91 -28.04 21.78 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.984 0.421 . . . . 25.0 111.181 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 77.2 p -74.64 -16.57 60.77 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.33 -0.85 . . . . 25.0 112.4 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -88.51 -14.83 36.82 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -178.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 74.5 mt -105.08 -25.54 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 116.027 -0.533 . . . . 25.0 112.05 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 93.3 p -97.88 -39.46 8.98 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.199 0.312 . . . . 25.0 111.359 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 117.915 -1.04 . . . . 25.0 110.924 -179.924 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 CA-C-O 120.42 -0.1 . . . . 25.0 113.017 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -84.51 -31.56 24.4 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.149 0.58 . . . . 25.0 112.285 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -67.47 -32.19 72.86 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.428 0.291 . . . . 25.0 111.614 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -87.99 -10.68 49.67 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.285 0.366 . . . . 25.0 111.486 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -103.06 -26.71 12.95 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.916 -0.584 . . . . 25.0 111.462 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.449 HG22 HD12 ' A' ' 599' ' ' LEU . 21.4 t -85.01 127.23 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 178.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 64.0 p -104.63 175.54 5.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.784 -0.644 . . . . 25.0 111.851 -176.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -66.2 -18.94 65.66 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.039 -0.982 . . . . 25.0 110.046 166.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -82.07 -30.97 31.04 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.938 -0.573 . . . . 25.0 111.926 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.449 HD12 HG22 ' A' ' 595' ' ' VAL . 9.7 mt -67.25 -44.66 78.87 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 117.593 0.179 . . . . 25.0 111.252 174.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -53.83 -32.45 52.91 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.923 0.392 . . . . 25.0 111.18 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 66.1 p -85.04 -30.93 23.72 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.142 -0.935 . . . . 25.0 111.96 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -77.8 -36.17 50.64 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.6 0.36 . . . . 25.0 111.651 -176.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 607' ' ' LEU . 86.2 mt -63.46 -29.91 71.12 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 122.988 0.515 . . . . 25.0 111.838 172.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 82.4 t -82.3 -26.78 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 CA-C-N 115.472 -0.785 . . . . 25.0 110.174 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -83.71 -18.39 38.07 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.241 -0.436 . . . . 25.0 110.307 173.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -86.15 -21.9 27.31 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.404 -0.816 . . . . 25.0 109.25 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.594 HD23 ' HB1' ' A' ' 632' ' ' ALA . 1.1 tp -86.73 -49.12 7.69 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 114.285 -1.325 . . . . 25.0 111.709 -178.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.63 -25.55 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.298 0.639 . . . . 25.0 111.682 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -83.16 -29.31 28.72 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 120.527 0.203 . . . . 25.0 111.284 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.65 -32.28 53.16 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.912 -0.586 . . . . 25.0 111.53 176.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.674 HG12 HG21 ' A' ' 660' ' ' ILE . 87.1 mt -78.78 -55.65 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 116.282 -0.417 . . . . 25.0 110.012 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' B' ' 545' ' ' LEU . 59.7 t80 -138.01 103.54 8.18 Favored Pre-proline 0 CA--C 1.549 0.917 0 O-C-N 123.236 0.335 . . . . 25.0 110.506 175.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -79.06 135.56 12.41 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.509 2.139 . . . . 25.0 112.549 173.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 2.5 t -151.99 127.54 4.94 Favored Pre-proline 0 CA--C 1.544 0.739 0 CA-C-N 116.407 -0.36 . . . . 25.0 111.909 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -49.1 -55.02 4.55 Favored 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 124.065 3.176 . . . . 25.0 114.533 173.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -73.65 116.38 51.13 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.514 -176.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -66.43 -10.53 28.03 Favored 'Trans proline' 0 C--N 1.375 1.933 0 C-N-CA 122.775 2.316 . . . . 25.0 113.814 173.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -72.74 -11.98 60.83 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -178.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.07 -14.97 52.73 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.696 0.398 . . . . 25.0 111.848 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 88.8 mt -83.34 -6.89 59.61 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.062 -0.517 . . . . 25.0 112.182 -176.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -106.43 14.91 26.66 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.108 0.48 . . . . 25.0 110.544 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -79.4 165.44 23.1 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.859 -0.61 . . . . 25.0 111.297 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 96.6 mtm-85 -72.31 -54.68 8.81 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 122.848 0.459 . . . . 25.0 111.67 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.493 HH11 ' HB2' ' B' ' 544' ' ' ALA . 95.7 mtt180 -69.07 -27.03 65.27 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.883 0.697 . . . . 25.0 112.883 -177.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -78.52 -38.83 39.73 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 111.636 0.236 . . . . 25.0 111.636 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.87 -20.03 20.85 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.103 0.561 . . . . 25.0 112.124 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -71.85 -35.96 70.01 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.9 0.48 . . . . 25.0 111.913 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.51 HD11 ' CB ' ' B' ' 541' ' ' ASP . 0.6 OUTLIER -86.47 -28.83 23.23 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 110.495 -0.187 . . . . 25.0 110.495 178.396 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.47 -32.76 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.013 0.525 . . . . 25.0 109.968 170.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -82.11 -18.94 41.23 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.786 -1.097 . . . . 25.0 111.454 177.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 631' ' ' TYR . . . . . 0.47 ' CD1' ' HA ' ' A' ' 628' ' ' LEU . 12.3 m-30 -75.93 -37.12 59.05 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.769 -0.651 . . . . 25.0 110.982 173.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.594 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -84.71 -24.43 28.92 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.255 0.347 . . . . 25.0 111.485 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -66.41 -31.22 71.85 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.193 0.597 . . . . 25.0 112.142 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -87.22 -24.62 24.36 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.826 1.047 . . . . 25.0 113.826 -177.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 5.1 t -69.49 -51.68 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 112.963 0.727 . . . . 25.0 112.963 -170.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -63.84 -20.42 65.79 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.887 0.699 . . . . 25.0 112.887 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -76.52 -24.98 66.49 Favored Glycine 0 C--N 1.343 0.96 0 O-C-N 123.276 0.36 . . . . 25.0 112.76 174.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -87.5 -19.45 27.92 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.889 0.476 . . . . 25.0 110.651 176.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.421 ' HE3' ' HB3' ' A' ' 639' ' ' MET . 4.3 mtp -70.68 -22.27 62.49 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.189 0.596 . . . . 25.0 112.232 178.026 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -73.99 -30.81 62.67 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.116 0.567 . . . . 25.0 111.57 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -88.58 -24.58 22.82 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.921 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 52.1 m -92.45 -35.28 13.74 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.131 0.419 . . . . 25.0 112.131 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -94.99 138.61 32.49 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.132 0.27 . . . . 25.0 111.408 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -107.69 -9.32 15.86 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.941 -0.572 . . . . 25.0 111.87 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 6.6 p -132.97 156.33 47.49 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.227 -0.442 . . . . 25.0 110.452 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 54.0 ptt85 -76.35 -18.32 58.96 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.888 -0.596 . . . . 25.0 111.555 -177.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -80.88 -25.29 37.71 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.332 0.395 . . . . 25.0 111.206 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -86.75 -45.27 11.09 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.011 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -53.9 -52.43 60.53 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.561 0.744 . . . . 25.0 111.4 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -72.06 -15.88 62.02 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.109 0.781 . . . . 25.0 113.109 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -83.1 -40.9 19.23 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 122.992 0.182 . . . . 25.0 110.872 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 73.6 mt -59.51 -42.87 93.18 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.76 0.824 . . . . 25.0 112.568 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 653' ' ' LEU . 0.4 OUTLIER -74.28 -23.44 59.11 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.527 0.565 . . . . 25.0 112.527 176.483 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -84.8 -32.73 23.19 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 177.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -83.7 -21.32 32.39 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.076 0.235 . . . . 25.0 111.402 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -71.51 -31.49 67.13 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 167.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 5.4 mt -68.41 -29.93 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 114.775 -1.102 . . . . 25.0 109.862 173.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 658' ' ' TYR . . . . . 0.423 ' O ' ' HB2' ' A' ' 662' ' ' LYS . 87.4 t80 -85.12 -30.64 23.84 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.645 -0.707 . . . . 25.0 110.786 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.487 ' HE2' ' OE2' ' A' ' 663' ' ' GLU . 88.1 tttt -72.33 -40.57 67.33 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.554 0.576 . . . . 25.0 112.554 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.674 HG21 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -67.86 -31.86 53.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 CA-C-N 115.572 -0.74 . . . . 25.0 110.043 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -75.5 -21.69 57.81 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.879 -0.601 . . . . 25.0 111.781 172.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 662' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 658' ' ' TYR . 61.4 tttm -85.21 -46.82 10.7 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.885 1.274 . . . . 25.0 110.972 -176.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 663' ' ' GLU . . . . . 0.487 ' OE2' ' HE2' ' A' ' 659' ' ' LYS . 97.3 mt-10 -62.95 -41.14 99.41 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.572 -0.74 . . . . 25.0 112.682 -178.144 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.99 -28.79 69.27 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.356 0.502 . . . . 25.0 112.356 174.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 . . . . . 0 N--CA 1.472 0.663 0 C-N-CA 122.517 0.327 . . . . 25.0 111.49 177.685 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 N--CA 1.467 0.401 0 N-CA-C 112.112 0.412 . . . . 25.0 112.112 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 91.9 mt -87.19 -33.76 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 -174.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.44 -11.42 59.25 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -100.67 -7.17 24.15 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.369 -0.832 . . . . 25.0 109.626 174.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 56.5 ttm -97.39 -32.07 12.05 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.077 -0.965 . . . . 25.0 109.804 174.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 541' ' ' ASP . . . . . 0.558 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 50.3 m-20 -89.69 -20.14 23.99 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.178 -0.919 . . . . 25.0 111.851 -178.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -73.32 -27.59 61.6 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 122.154 0.182 . . . . 25.0 111.095 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.9 p -82.04 -26.38 33.81 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.05 -0.523 . . . . 25.0 111.723 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 544' ' ' ALA . . . . . 0.493 ' HB2' HH11 ' A' ' 624' ' ' ARG . . . -82.91 -22.17 33.98 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.909 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 545' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 40.5 mt -82.58 -14.83 54.16 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.495 0.554 . . . . 25.0 112.495 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 88.3 mt -72.64 -29.94 63.88 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 120.858 0.361 . . . . 25.0 111.293 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.9 p -75.56 -16.23 60.28 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.377 -0.828 . . . . 25.0 111.936 177.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 548' ' ' GLN . . . . . 0.513 ' NE2' HD23 ' B' ' 545' ' ' LEU . 95.1 mt-30 -73.53 -11.25 60.38 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.581 0.585 . . . . 25.0 112.581 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 89.5 mt -91.56 -32.23 5.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 115.947 -0.57 . . . . 25.0 110.67 -178.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 61.8 p -89.98 -37.02 14.63 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.327 0.392 . . . . 25.0 111.732 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.823 -0.608 . . . . 25.0 110.955 179.314 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 114.302 0.481 . . . . 25.0 114.302 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 591' ' ' TRP . . . . . 0.649 ' NE1' HG21 ' A' ' 595' ' ' VAL . 13.6 t90 -70.74 -33.59 70.98 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 112.554 0.576 . . . . 25.0 112.554 -177.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -72.64 -13.35 61.35 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 116.55 -0.295 . . . . 25.0 111.401 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -82.26 -29.25 31.35 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.153 0.427 . . . . 25.0 112.153 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -106.69 -24.84 11.99 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.043 0.757 . . . . 25.0 113.043 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.649 HG21 ' NE1' ' A' ' 591' ' ' TRP . 77.3 t -79.38 125.11 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 178.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 80.3 p -112.78 -176.06 2.82 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.953 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -69.94 -19.04 63.4 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.105 -0.952 . . . . 25.0 109.689 166.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -81.97 -44.88 16.14 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.056 -0.52 . . . . 25.0 111.295 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.572 HD23 HG22 ' A' ' 595' ' ' VAL . 63.4 tp -59.43 -45.03 92.72 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 111.902 0.334 . . . . 25.0 111.902 175.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.528 ' HG2' ' OE2' ' A' ' 636' ' ' GLU . 85.6 mtp180 -62.07 -23.48 66.53 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 -177.128 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 58.4 p -83.56 -28.62 28.45 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.051 -0.522 . . . . 25.0 110.763 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -78.98 -22.54 45.44 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.459 0.703 . . . . 25.0 111.574 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 71.4 mt -80.89 -35.17 32.93 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.541 -0.754 . . . . 25.0 109.822 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 50.6 t -75.04 -30.79 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 CA-C-N 115.051 -0.977 . . . . 25.0 110.71 172.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.584 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 64.2 t60 -78.43 -17.88 55.75 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.554 0.342 . . . . 25.0 110.942 177.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -85.21 -24.91 27.65 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 122.104 0.954 . . . . 25.0 109.18 174.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.542 ' CD2' ' HB1' ' A' ' 632' ' ' ALA . 17.4 tp -87.6 -38.23 16.12 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 113.108 -1.86 . . . . 25.0 111.885 -173.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 40.6 t -72.63 -27.49 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.18 0.592 . . . . 25.0 111.33 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 609' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 97.1 mm-40 -80.17 -36.0 35.66 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-O 120.931 0.396 . . . . 25.0 110.664 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.461 ' CB ' HG12 ' A' ' 657' ' ' ILE . . . -64.28 -34.12 77.39 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.158 -0.928 . . . . 25.0 111.839 174.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.586 HG12 HG21 ' A' ' 660' ' ' ILE . 96.0 mt -80.22 -56.15 7.29 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 N-CA-C 109.452 -0.574 . . . . 25.0 109.452 176.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.423 ' CD2' HD13 ' B' ' 545' ' ' LEU . 76.6 t80 -141.31 113.8 6.78 Favored Pre-proline 0 CA--C 1.549 0.923 0 O-C-N 123.322 0.389 . . . . 25.0 110.206 173.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.12 140.49 92.66 Favored 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.472 2.115 . . . . 25.0 112.758 175.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 86.2 m -99.53 115.01 65.96 Favored Pre-proline 0 C--O 1.236 0.366 0 N-CA-C 113.002 0.741 . . . . 25.0 113.002 -176.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.474 ' HG2' HD13 ' B' ' 549' ' ' ILE . 50.0 Cg_exo -69.13 -55.61 0.19 Allowed 'Trans proline' 0 C--N 1.367 1.525 0 C-N-CA 123.215 2.61 . . . . 25.0 112.382 166.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -127.68 141.51 41.25 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 115.353 -0.839 . . . . 25.0 111.544 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -58.9 -13.21 17.54 Favored 'Trans proline' 0 C--N 1.371 1.759 0 C-N-CA 124.023 3.149 . . . . 25.0 114.113 173.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.44 -34.96 58.74 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.688 0.395 . . . . 25.0 111.794 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.44 -26.64 61.03 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.079 0.466 . . . . 25.0 110.909 173.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 18.4 tp -81.93 -10.14 59.37 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.004 -0.998 . . . . 25.0 111.711 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -102.88 14.54 31.7 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.232 -0.44 . . . . 25.0 110.494 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -82.53 161.91 22.18 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.755 -0.657 . . . . 25.0 111.148 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.5 mmp_? -79.28 -39.8 32.07 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.615 -0.721 . . . . 25.0 110.626 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -68.01 -24.8 65.15 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 114.74 -1.118 . . . . 25.0 112.178 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -88.35 -38.21 15.32 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.332 -0.395 . . . . 25.0 111.141 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -55.92 -20.3 15.42 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.427 0.691 . . . . 25.0 112.395 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -69.99 -36.05 74.86 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.479 0.548 . . . . 25.0 112.479 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 16.0 mt -86.58 -29.25 22.76 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 110.589 -0.152 . . . . 25.0 110.589 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 73.3 t -56.87 -35.46 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 120.99 0.424 . . . . 25.0 109.867 171.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -75.74 -18.81 59.43 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.109 -0.95 . . . . 25.0 111.36 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 631' ' ' TYR . . . . . 0.482 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 60.1 t80 -78.82 -35.17 44.52 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.613 -0.721 . . . . 25.0 110.74 172.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.542 ' HB1' ' CD2' ' A' ' 607' ' ' LEU . . . -83.48 -29.05 28.3 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.405 0.44 . . . . 25.0 111.458 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -64.92 -38.81 92.21 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.261 0.553 . . . . 25.0 111.341 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -77.21 -28.81 53.95 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 114.706 -1.134 . . . . 25.0 111.002 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.436 ' HB ' ' HA ' ' A' ' 632' ' ' ALA . 1.2 t -74.4 -44.33 48.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 115.369 -0.832 . . . . 25.0 112.11 -170.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.528 ' OE2' ' HG2' ' A' ' 600' ' ' ARG . 12.1 tm-20 -65.73 -29.01 69.47 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.126 0.57 . . . . 25.0 111.356 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -74.84 -19.04 80.09 Favored Glycine 0 C--N 1.344 0.986 0 CA-C-N 116.116 -0.493 . . . . 25.0 113.358 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -79.18 -19.26 51.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.836 0.454 . . . . 25.0 111.099 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.592 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 14.2 mtt -76.02 -24.17 55.23 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.445 0.535 . . . . 25.0 112.445 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -27.54 50.66 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.349 -0.387 . . . . 25.0 111.3 -177.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -88.73 -21.4 23.87 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.901 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 m -94.59 -46.0 7.15 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.841 0.312 . . . . 25.0 111.841 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -88.75 152.19 21.94 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.857 0.318 . . . . 25.0 111.857 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -116.87 -9.04 11.26 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.066 -0.515 . . . . 25.0 112.03 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 49.4 m -132.34 155.97 47.44 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 122.557 0.343 . . . . 25.0 110.475 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.584 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 1.5 ptt-85 -70.26 -24.8 63.12 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -177.01 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -81.44 -25.15 36.38 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.193 0.308 . . . . 25.0 111.278 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 651' ' ' HIS . 36.1 mm-40 -86.38 -46.8 9.92 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.069 176.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 649' ' ' TYR . . . . . 0.478 ' OH ' ' OE2' ' A' ' 636' ' ' GLU . 74.2 t80 -53.96 -54.1 43.67 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.926 0.89 . . . . 25.0 111.764 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 646' ' ' ARG . 22.6 m-85 -64.01 -15.13 58.69 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 176.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 651' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' A' ' 648' ' ' GLU . 84.7 t60 -81.84 -43.36 18.34 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 119.331 -0.366 . . . . 25.0 111.858 -177.044 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.45 ' HB2' ' HG2' ' A' ' 639' ' ' MET . 97.1 mt -59.79 -23.04 62.98 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.159 0.8 . . . . 25.0 113.159 -178.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.592 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 51.4 tp -87.66 -39.94 14.59 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 110.51 -0.181 . . . . 25.0 110.51 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.467 ' O ' ' CD1' ' A' ' 658' ' ' TYR . . . -69.83 -25.16 63.62 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.495 0.497 . . . . 25.0 111.492 175.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.78 -35.63 29.37 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.143 176.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 652' ' ' LEU . 31.9 mttt -71.88 -22.34 61.52 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.461 0.476 . . . . 25.0 109.718 173.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.461 HG12 ' CB ' ' A' ' 610' ' ' ALA . 2.0 mt -72.87 -29.99 31.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 115.604 -0.725 . . . . 25.0 110.253 176.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 658' ' ' TYR . . . . . 0.467 ' CD1' ' O ' ' A' ' 654' ' ' ALA . 27.9 m-85 -85.11 -30.91 23.65 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.337 -0.392 . . . . 25.0 111.156 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -76.64 -34.58 58.31 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.586 HG21 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -73.34 -32.81 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.762 -0.459 . . . . 25.0 109.762 176.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -67.52 -20.04 65.38 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.493 -0.776 . . . . 25.0 112.273 174.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -72.89 -36.97 67.43 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.867 0.467 . . . . 25.0 111.764 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -69.89 -48.02 60.29 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.568 0.747 . . . . 25.0 111.489 -177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 98.7 mt -68.27 -18.85 64.64 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.591 0.589 . . . . 25.0 112.591 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 . . . . . 0 CA--C 1.543 0.697 0 C-N-CA 122.442 0.297 . . . . 25.0 111.07 178.838 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 85.1 p . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 112.039 0.385 . . . . 25.0 112.039 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 85.3 mt -86.76 -32.71 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 111.876 0.325 . . . . 25.0 111.876 -175.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.42 -11.43 59.26 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.641 0.608 . . . . 25.0 112.641 -176.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -98.21 -14.58 20.26 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.505 -0.77 . . . . 25.0 110.02 175.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 94.5 mtp -91.48 -27.84 18.0 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.452 -0.795 . . . . 25.0 110.973 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -92.61 -19.84 21.49 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.613 -178.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -76.5 -26.79 55.66 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.464 0.173 . . . . 25.0 111.209 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.8 p -81.62 -23.52 36.97 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.472 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 544' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' B' ' 548' ' ' GLN . . . -84.24 -22.88 30.65 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.983 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 545' ' ' LEU . . . . . 0.423 HD13 ' CD2' ' A' ' 612' ' ' PHE . 61.2 mt -81.31 -15.41 55.48 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.389 0.515 . . . . 25.0 112.389 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 98.3 mt -82.13 -42.0 19.71 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 120.889 0.376 . . . . 25.0 110.695 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 89.7 p -76.33 -15.77 59.9 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.297 -0.865 . . . . 25.0 111.309 175.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 548' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' B' ' 544' ' ' ALA . 46.8 tp60 -75.98 -24.69 55.37 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.266 0.626 . . . . 25.0 111.907 -177.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 549' ' ' ILE . . . . . 0.474 HD13 ' HG2' ' A' ' 615' ' ' PRO . 14.2 mt -102.35 -28.8 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 115.467 -0.788 . . . . 25.0 112.199 -179.078 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 94.7 p -92.66 -24.07 18.77 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.268 0.355 . . . . 25.0 111.847 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.486 1.333 0 C-N-CA 124.381 1.072 . . . . 25.0 112.701 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.588 0 CA-C-O 120.123 -0.265 . . . . 25.0 113.671 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -79.25 -27.37 42.37 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.182 0.438 . . . . 25.0 112.182 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -13.23 61.27 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.421 175.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -86.44 -31.63 21.29 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.542 0.571 . . . . 25.0 112.542 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -102.13 -21.25 14.45 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.126 0.787 . . . . 25.0 113.126 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.448 HG22 HD12 ' A' ' 599' ' ' LEU . 53.6 t -79.13 129.01 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-O 121.105 0.478 . . . . 25.0 110.721 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 80.3 p -111.48 -176.03 2.85 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.788 -1.096 . . . . 25.0 111.179 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -75.42 -17.09 60.27 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.08 167.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -78.0 -33.13 51.41 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 115.95 -0.568 . . . . 25.0 111.888 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.448 HD12 HG22 ' A' ' 595' ' ' VAL . 9.9 mt -62.9 -47.87 81.42 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 112.013 0.375 . . . . 25.0 112.013 174.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -60.19 -21.79 62.16 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.59 0.589 . . . . 25.0 112.59 -175.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.8 p -83.41 -30.58 27.22 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.13 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -82.21 -20.21 38.2 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.418 0.449 . . . . 25.0 110.434 176.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.612 ' O ' HD21 ' A' ' 653' ' ' LEU . 26.8 mt -76.4 -35.11 58.78 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.53 -0.759 . . . . 25.0 109.958 174.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 39.6 t -74.73 -35.56 37.47 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-N 115.216 -0.902 . . . . 25.0 110.755 172.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.558 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 76.1 t60 -73.35 -16.74 61.34 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.854 0.359 . . . . 25.0 110.817 176.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -84.83 -28.56 25.99 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.198 0.999 . . . . 25.0 108.756 176.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.683 ' HB2' HD11 ' A' ' 653' ' ' LEU . 14.4 tp -87.61 -41.21 13.58 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 112.962 -1.926 . . . . 25.0 111.788 -173.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 42.5 t -72.8 -24.99 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.274 0.63 . . . . 25.0 111.159 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 609' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 98.5 mm-40 -82.05 -27.83 32.78 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.654 0.264 . . . . 25.0 111.398 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -75.95 -29.75 58.4 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.882 -0.599 . . . . 25.0 111.538 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.559 HG12 HG21 ' A' ' 660' ' ' ILE . 97.5 mt -82.79 -56.5 5.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 N-CA-C 109.473 -0.566 . . . . 25.0 109.473 177.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -141.78 110.03 6.11 Favored Pre-proline 0 CA--C 1.549 0.919 0 O-C-N 123.339 0.399 . . . . 25.0 110.381 173.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -66.9 136.13 40.4 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 122.415 2.077 . . . . 25.0 112.324 173.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.19 114.35 61.29 Favored Pre-proline 0 C--O 1.236 0.381 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 -176.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -60.83 -52.46 3.63 Favored 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 123.362 2.708 . . . . 25.0 112.755 167.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -108.97 123.43 37.02 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 114.892 -1.049 . . . . 25.0 111.357 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -61.62 -10.2 15.9 Favored 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 123.095 2.53 . . . . 25.0 114.201 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.82 -8.14 57.62 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.616 0.599 . . . . 25.0 112.616 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.0 -8.02 59.68 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.726 0.41 . . . . 25.0 112.076 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 95.1 mt -83.55 2.92 34.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.101 -0.5 . . . . 25.0 112.195 -175.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -101.52 14.51 31.74 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.097 0.475 . . . . 25.0 110.45 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -88.92 150.02 23.05 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.701 -0.681 . . . . 25.0 110.707 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -79.81 -36.09 37.44 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.44 -0.8 . . . . 25.0 110.875 -175.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.438 ' HE ' ' CB ' ' B' ' 544' ' ' ALA . 73.8 mtp85 -69.64 -28.08 65.59 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.809 -1.087 . . . . 25.0 112.08 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 15.9 ttt -86.34 -35.3 19.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.229 -0.441 . . . . 25.0 111.358 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -55.8 -21.14 17.89 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -77.99 -28.42 49.3 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.49 0.316 . . . . 25.0 111.44 176.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.75 -32.34 21.91 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.064 -0.516 . . . . 25.0 110.271 175.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.61 HG12 ' HD2' ' A' ' 633' ' ' LYS . 74.5 t -60.93 -33.91 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 122.978 0.511 . . . . 25.0 110.092 170.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -83.96 -19.13 35.14 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.457 -0.792 . . . . 25.0 112.111 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -73.81 -40.94 62.99 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.407 -0.361 . . . . 25.0 110.14 171.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.516 ' HB1' ' CD2' ' A' ' 607' ' ' LEU . . . -80.12 -31.6 39.1 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.738 -176.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.61 ' HD2' HG12 ' A' ' 629' ' ' VAL . 41.6 mttt -68.61 -21.11 64.51 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.787 -0.642 . . . . 25.0 110.752 177.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -86.67 -39.45 16.05 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.132 -0.94 . . . . 25.0 112.472 -177.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.413 HG11 ' HD2' ' A' ' 656' ' ' LYS . 53.2 t -68.08 -52.02 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 113.821 1.045 . . . . 25.0 113.821 -166.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.403 ' HA ' ' HG3' ' A' ' 639' ' ' MET . 2.9 pp20? -57.94 -20.39 37.31 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 113.419 0.896 . . . . 25.0 113.419 -176.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.49 -23.48 77.99 Favored Glycine 0 C--N 1.345 1.066 0 C-N-CA 121.673 -0.299 . . . . 25.0 113.04 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -87.21 -19.53 28.24 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 122.993 0.517 . . . . 25.0 111.176 175.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.559 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 9.0 mtm -71.62 -28.77 64.02 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.834 177.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -77.24 -25.07 51.19 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.019 -0.537 . . . . 25.0 110.416 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -89.05 -26.14 21.58 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.15 0.98 . . . . 25.0 111.206 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 34.7 m -96.36 -46.17 6.51 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -177.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -85.37 153.2 22.69 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.852 0.316 . . . . 25.0 111.852 -178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -114.83 -12.31 12.12 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.88 -0.6 . . . . 25.0 112.064 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.2 p -131.9 158.85 40.29 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.537 0.335 . . . . 25.0 110.54 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 73.1 ttt-85 -72.61 -25.01 61.15 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.024 -0.535 . . . . 25.0 112.208 -174.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -81.0 -25.22 37.39 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.182 0.302 . . . . 25.0 111.416 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 651' ' ' HIS . 25.1 tp10 -86.08 -45.21 11.61 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.13 -0.486 . . . . 25.0 109.87 175.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 649' ' ' TYR . . . . . 0.47 ' HD2' ' CD1' ' A' ' 650' ' ' TYR . 76.4 t80 -54.8 -50.46 68.47 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.691 0.796 . . . . 25.0 111.746 178.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.47 ' CD1' ' HD2' ' A' ' 649' ' ' TYR . 9.4 m-85 -68.63 -15.07 63.41 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 112.346 0.498 . . . . 25.0 112.346 176.161 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 651' ' ' HIS . . . . . 0.413 ' HB3' ' O ' ' A' ' 648' ' ' GLU . 77.8 t60 -82.19 -40.21 22.06 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.142 0.423 . . . . 25.0 112.142 -177.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 87.1 mt -59.6 -27.22 66.1 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 178.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' A' ' 607' ' ' LEU . 57.9 tp -86.69 -31.46 21.02 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.406 0.282 . . . . 25.0 110.974 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.43 -25.0 60.32 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.351 174.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -73.44 -39.54 64.9 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.191 -0.459 . . . . 25.0 112.063 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.413 ' HD2' HG11 ' A' ' 635' ' ' VAL . 59.5 mttp -67.97 -27.37 66.54 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.603 -0.518 . . . . 25.0 109.603 173.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 17.6 mt -71.9 -30.37 36.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 115.298 -0.865 . . . . 25.0 110.555 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -84.54 -32.83 23.66 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.266 -0.425 . . . . 25.0 111.129 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -77.17 -31.54 55.55 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.202 -0.454 . . . . 25.0 112.145 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.559 HG21 HG12 ' A' ' 611' ' ' ILE . 95.0 mt -78.36 -23.84 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-O 121.113 0.483 . . . . 25.0 109.919 176.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -76.46 -19.7 57.77 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.617 -0.72 . . . . 25.0 111.961 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 662' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 665' ' ' GLU . 57.9 tttm -75.91 -39.59 56.0 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.811 0.444 . . . . 25.0 111.89 177.251 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.31 -47.28 64.93 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.414 0.686 . . . . 25.0 112.546 -176.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.53 -19.49 48.64 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 665' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 662' ' ' LYS . 64.3 mt-10 . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 113.271 0.841 . . . . 25.0 113.271 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 39.9 t . . . . . 0 CA--C 1.537 0.449 0 N-CA-C 111.812 0.301 . . . . 25.0 111.812 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 97.1 mt -74.26 -37.15 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 113.22 0.822 . . . . 25.0 113.22 -172.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.16 -10.91 59.56 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.081 0.467 . . . . 25.0 112.037 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -104.19 -6.6 20.83 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.032 -0.985 . . . . 25.0 109.512 172.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 54.6 ttm -96.97 -30.87 12.84 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.224 -0.898 . . . . 25.0 110.068 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 541' ' ' ASP . . . . . 0.406 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 90.0 m-20 -89.5 -19.25 25.3 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.22 -0.9 . . . . 25.0 111.782 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -71.11 -26.78 63.18 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.5 0.191 . . . . 25.0 111.076 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.8 p -81.65 -25.69 35.4 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.141 -0.481 . . . . 25.0 111.274 176.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 544' ' ' ALA . . . . . 0.438 ' CB ' ' HE ' ' A' ' 624' ' ' ARG . . . -81.11 -27.65 35.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.329 177.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 545' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 87.1 mt -84.96 -17.9 36.26 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.915 -0.584 . . . . 25.0 111.105 173.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 7.5 mt -78.92 -29.45 44.18 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.668 -0.696 . . . . 25.0 110.702 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.9 p -76.1 -15.72 60.04 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.59 -0.732 . . . . 25.0 111.9 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -73.42 -11.52 60.5 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 112.474 0.546 . . . . 25.0 112.474 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.5 mt -102.54 -32.04 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.02 -0.536 . . . . 25.0 110.644 -177.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 76.5 p -94.17 -38.79 10.89 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.542 -0.299 . . . . 25.0 111.632 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 94.8 p . . . . . 0 C--O 1.248 1.014 0 CA-C-O 117.983 -1.008 . . . . 25.0 110.64 179.845 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.793 0 N-CA-C 115.065 0.786 . . . . 25.0 115.065 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 31.9 p-90 -68.98 -34.81 75.91 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 117.495 0.648 . . . . 25.0 112.579 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.87 -13.35 60.9 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.209 0.318 . . . . 25.0 111.408 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -82.55 -25.33 33.45 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -111.39 -25.02 9.85 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.938 0.718 . . . . 25.0 112.938 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 87.3 t -80.81 124.31 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 109.524 -0.547 . . . . 25.0 109.524 177.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 70.3 p -113.53 -174.76 2.53 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.303 -0.862 . . . . 25.0 111.59 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -71.04 -17.86 62.59 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.366 -0.834 . . . . 25.0 109.851 168.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -81.95 -38.47 25.15 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.735 -0.666 . . . . 25.0 112.069 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.87 -41.26 97.81 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.111 0.411 . . . . 25.0 112.111 175.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -63.9 -22.88 67.12 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 112.195 0.442 . . . . 25.0 112.195 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.8 p -84.34 -33.93 23.76 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.842 0.457 . . . . 25.0 111.969 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 55.9 m170 -77.36 -32.96 55.38 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.842 0.457 . . . . 25.0 111.237 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.409 HD12 ' OE2' ' A' ' 636' ' ' GLU . 61.1 mt -69.26 -25.05 64.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.376 0.671 . . . . 25.0 112.69 173.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 50.6 t -82.92 -27.22 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 123.773 0.829 . . . . 25.0 110.11 173.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.416 ' HA ' HG22 ' A' ' 608' ' ' VAL . 75.7 t60 -81.41 -17.33 49.28 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.932 -0.576 . . . . 25.0 109.812 170.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -82.65 -19.94 37.24 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.51 -0.768 . . . . 25.0 109.434 174.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.721 HD23 ' HB1' ' A' ' 632' ' ' ALA . 0.1 OUTLIER -83.83 -47.75 10.78 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 114.267 -1.333 . . . . 25.0 110.752 -177.819 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 605' ' ' HIS . 34.7 m -66.34 -23.57 31.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.648 -0.706 . . . . 25.0 111.916 -176.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -80.84 -39.01 27.28 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 122.815 0.446 . . . . 25.0 110.943 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.42 63.45 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.52 -0.763 . . . . 25.0 111.91 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.54 HG12 HG21 ' A' ' 660' ' ' ILE . 96.6 mt -82.91 -44.23 18.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 N-CA-C 109.991 -0.374 . . . . 25.0 109.991 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.509 ' CD2' HD13 ' B' ' 545' ' ' LEU . 87.9 t80 -142.84 115.54 6.11 Favored Pre-proline 0 CA--C 1.547 0.858 0 O-C-N 123.207 0.317 . . . . 25.0 110.225 171.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.1 140.29 27.96 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 121.702 1.601 . . . . 25.0 112.347 174.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 37.7 p -112.1 114.79 50.94 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -63.0 -52.58 2.06 Favored 'Trans proline' 0 C--N 1.37 1.708 0 C-N-CA 123.326 2.684 . . . . 25.0 112.477 166.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -105.52 125.96 32.06 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 114.707 -1.133 . . . . 25.0 111.282 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -61.08 -10.56 15.45 Favored 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 123.134 2.556 . . . . 25.0 114.136 174.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.17 -8.35 56.84 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.72 -13.43 54.05 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.278 -0.419 . . . . 25.0 112.1 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 95.6 mt -82.27 -0.58 46.1 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.347 0.499 . . . . 25.0 112.347 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -106.1 14.76 27.3 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.959 0.409 . . . . 25.0 111.173 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 622' ' ' ASP . . . . . 0.449 ' OD2' ' HG3' ' B' ' 548' ' ' GLN . 47.4 t0 -87.26 158.61 19.05 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.857 -0.61 . . . . 25.0 111.085 -176.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 54.2 tpt85 -79.12 -39.07 34.55 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.559 -0.746 . . . . 25.0 110.709 -177.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -68.8 -19.66 64.3 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.747 -1.115 . . . . 25.0 111.738 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 57.8 tpp -81.11 -37.08 29.49 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.184 0.594 . . . . 25.0 110.535 177.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -61.51 -21.58 64.35 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.663 0.785 . . . . 25.0 112.405 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.44 -43.54 69.68 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.73 0.641 . . . . 25.0 112.73 -177.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 4.3 mt -86.43 -21.57 27.02 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 121.25 -0.18 . . . . 25.0 111.096 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.2 -33.01 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 166.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -76.89 -19.08 57.87 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 114.598 -1.183 . . . . 25.0 111.529 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 631' ' ' TYR . . . . . 0.4 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 86.8 t80 -75.85 -40.88 53.89 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.263 -0.426 . . . . 25.0 110.142 168.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.721 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -79.77 -28.64 40.36 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.31 -0.405 . . . . 25.0 111.754 -175.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -64.61 -25.63 68.04 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.863 0.465 . . . . 25.0 111.562 177.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -85.79 -34.44 21.12 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.191 -0.913 . . . . 25.0 112.064 -176.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.591 ' O ' ' HG3' ' A' ' 639' ' ' MET . 53.0 t -77.15 -38.22 27.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 N-CA-C 112.632 0.605 . . . . 25.0 112.632 -170.417 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.409 ' OE2' HD12 ' A' ' 603' ' ' LEU . 38.2 tp10 -63.44 -37.23 86.47 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.184 0.439 . . . . 25.0 112.184 176.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -81.75 -19.56 65.46 Favored Glycine 0 C--N 1.345 1.035 0 O-C-N 123.477 0.486 . . . . 25.0 113.411 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -84.48 -18.68 35.06 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.593 0.357 . . . . 25.0 111.08 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.591 ' HG3' ' O ' ' A' ' 635' ' ' VAL . 38.1 mtm -73.36 -26.78 61.16 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 -178.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -26.11 61.42 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.321 -0.4 . . . . 25.0 111.628 -175.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -88.62 -26.14 22.06 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.161 -0.472 . . . . 25.0 111.761 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 66.4 p -94.1 -34.0 13.14 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.187 0.439 . . . . 25.0 112.187 -176.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -96.22 143.63 27.15 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.412 0.285 . . . . 25.0 111.524 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -105.5 -16.75 14.63 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.903 -0.59 . . . . 25.0 111.683 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 91.6 p -132.27 161.73 32.75 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.072 -0.513 . . . . 25.0 110.557 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.499 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 1.7 ptm180 -74.83 -18.61 60.42 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.011 -0.54 . . . . 25.0 111.901 -176.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 647' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 95.5 m-20 -80.91 -26.88 36.46 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.171 0.294 . . . . 25.0 111.59 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -85.66 -44.89 12.2 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.364 0.415 . . . . 25.0 110.022 175.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 649' ' ' TYR . . . . . 0.465 ' O ' ' SD ' ' A' ' 639' ' ' MET . 80.7 t80 -52.14 -52.35 52.23 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.537 0.735 . . . . 25.0 111.489 176.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' A' ' 646' ' ' ARG . 23.1 m-85 -72.19 -16.32 61.96 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.001 0.741 . . . . 25.0 113.001 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 651' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 0.1 OUTLIER -84.34 -36.32 22.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 122.376 0.27 . . . . 25.0 111.01 178.844 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.32 -39.24 89.78 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.951 0.9 . . . . 25.0 112.514 176.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.59 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 6.3 tp -77.83 -29.87 50.78 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.879 -0.6 . . . . 25.0 112.411 177.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -81.73 -25.8 35.09 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -75.32 -32.91 61.08 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -67.96 -29.81 68.95 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.472 -0.566 . . . . 25.0 109.472 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 5.1 mt -71.48 -37.78 65.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-N 115.554 -0.748 . . . . 25.0 110.891 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -82.93 -27.37 30.64 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.93 0.395 . . . . 25.0 110.428 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -77.39 -33.44 55.09 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.324 -0.853 . . . . 25.0 112.199 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.54 HG21 HG12 ' A' ' 611' ' ' ILE . 77.7 mt -77.7 -30.12 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 109.958 -0.386 . . . . 25.0 109.958 177.481 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -63.2 -19.64 64.7 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.804 -0.634 . . . . 25.0 112.157 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -75.28 -43.62 50.19 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.175 0.435 . . . . 25.0 112.175 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -65.65 -34.19 77.64 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.168 0.587 . . . . 25.0 112.385 -175.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.55 -23.3 67.33 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.84 -0.618 . . . . 25.0 112.216 174.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 . . . . . 0 N--CA 1.47 0.535 0 C-N-CA 122.452 0.301 . . . . 25.0 111.809 175.203 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 79.0 p . . . . . 0 C--O 1.235 0.325 0 CA-C-O 120.591 0.234 . . . . 25.0 111.262 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 95.4 mt -87.06 -32.62 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.825 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.63 -11.27 59.17 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.771 0.656 . . . . 25.0 112.771 -177.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -97.6 -16.07 20.19 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.731 175.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 96.3 mmm -91.03 -26.64 19.09 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.312 -0.858 . . . . 25.0 110.743 173.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -89.13 -20.08 24.72 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.391 -0.822 . . . . 25.0 111.539 -178.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -75.53 -28.92 59.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.14 0.176 . . . . 25.0 111.379 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 76.3 p -81.74 -22.88 37.04 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.737 0.415 . . . . 25.0 111.855 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 544' ' ' ALA . . . . . 0.535 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.18 -22.5 30.93 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.351 -0.386 . . . . 25.0 112.01 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 545' ' ' LEU . . . . . 0.509 HD13 ' CD2' ' A' ' 612' ' ' PHE . 89.3 mt -83.54 -15.38 49.52 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.381 0.512 . . . . 25.0 112.381 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 84.4 mt -80.51 -32.66 36.85 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.874 0.369 . . . . 25.0 110.954 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.8 p -75.78 -16.41 60.11 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.417 -0.811 . . . . 25.0 111.984 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 548' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 89.4 mm-40 -81.71 -25.3 35.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.255 -0.43 . . . . 25.0 112.002 -178.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 43.9 pt -103.05 -20.26 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 115.37 -0.832 . . . . 25.0 112.216 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 91.6 p -94.21 -34.31 12.94 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.229 0.331 . . . . 25.0 111.411 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--O 1.249 1.036 0 CA-C-O 117.988 -1.006 . . . . 25.0 110.614 179.493 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.817 0 N-CA-C 113.972 0.349 . . . . 25.0 113.972 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 591' ' ' TRP . . . . . 0.429 ' O ' HG23 ' A' ' 595' ' ' VAL . 64.3 p-90 -68.11 -35.4 78.07 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.102 0.561 . . . . 25.0 112.482 -177.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -68.62 -33.94 74.9 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 122.803 0.441 . . . . 25.0 111.594 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -87.06 -12.35 47.54 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 122.854 0.462 . . . . 25.0 110.805 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -97.39 -26.85 14.72 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.525 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 591' ' ' TRP . 86.0 t -88.01 127.38 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.478 -0.564 . . . . 25.0 109.478 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 80.3 p -110.34 179.47 4.08 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.967 -177.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -69.29 -20.66 63.9 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.886 -1.052 . . . . 25.0 109.807 167.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -83.29 -32.76 26.19 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 116.005 -0.543 . . . . 25.0 111.943 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 1.4 mt -68.79 -44.37 73.74 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 111.818 0.303 . . . . 25.0 111.818 174.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -62.63 -22.98 66.83 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.9 p -84.42 -34.13 23.56 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 122.706 0.403 . . . . 25.0 111.719 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -77.6 -32.85 53.84 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.843 0.457 . . . . 25.0 111.124 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.476 HD11 ' HE2' ' A' ' 650' ' ' TYR . 61.0 mt -69.8 -25.86 63.99 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.803 0.668 . . . . 25.0 112.803 173.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 28.0 t -82.81 -23.94 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 123.468 0.707 . . . . 25.0 109.847 173.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -84.05 -17.73 39.36 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.845 -0.616 . . . . 25.0 109.704 169.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -82.06 -19.95 39.25 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.257 -0.883 . . . . 25.0 109.258 175.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.937 HD13 ' HB1' ' A' ' 632' ' ' ALA . 0.3 OUTLIER -85.91 -50.7 6.89 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 114.179 -1.373 . . . . 25.0 111.097 -176.383 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.28 -26.08 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-N 115.627 -0.715 . . . . 25.0 111.72 -176.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -82.21 -27.84 32.33 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.491 0.186 . . . . 25.0 111.349 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -80.32 -33.21 37.69 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.388 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.557 HG12 HG21 ' A' ' 660' ' ' ILE . 95.1 mt -78.15 -47.91 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 116.076 -0.511 . . . . 25.0 110.09 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.449 ' CD2' HD13 ' B' ' 545' ' ' LEU . 86.4 t80 -143.85 111.13 5.24 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 122.574 0.35 . . . . 25.0 110.108 172.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.81 137.9 60.78 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.364 2.043 . . . . 25.0 112.267 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 60.6 p -98.62 114.41 65.32 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 112.821 0.674 . . . . 25.0 112.821 -175.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -68.7 -50.53 0.61 Allowed 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 123.157 2.571 . . . . 25.0 112.069 166.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -105.26 129.95 23.91 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 114.81 -1.086 . . . . 25.0 111.759 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.04 -16.4 44.89 Favored 'Trans proline' 0 C--N 1.367 1.501 0 C-N-CA 123.552 2.835 . . . . 25.0 114.007 176.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -85.76 -12.78 50.16 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.39 -9.12 46.14 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.456 0.539 . . . . 25.0 112.456 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 51.9 mt -82.33 -5.71 58.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 122.805 0.442 . . . . 25.0 112.162 -176.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.61 14.58 31.58 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.145 0.498 . . . . 25.0 110.391 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -86.63 153.37 21.82 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.812 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -75.49 -47.9 25.0 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.272 -0.876 . . . . 25.0 111.647 -177.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -65.04 -21.1 66.78 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.01 0.524 . . . . 25.0 112.381 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 27.5 tpp -77.44 -41.67 38.85 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 122.821 0.449 . . . . 25.0 110.531 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.96 -19.68 65.95 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -65.86 -40.92 92.14 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 122.887 0.475 . . . . 25.0 111.763 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 88.2 mt -86.53 -22.99 26.04 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 122.961 0.163 . . . . 25.0 110.858 177.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' A' ' 633' ' ' LYS . 6.0 t -54.79 -39.83 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 108.913 -0.773 . . . . 25.0 108.913 168.514 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -70.0 -19.19 63.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 114.548 -1.205 . . . . 25.0 111.682 176.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 631' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 11.0 t80 -76.65 -39.21 52.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.23 -0.441 . . . . 25.0 110.002 168.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.937 ' HB1' HD13 ' A' ' 607' ' ' LEU . . . -78.35 -31.18 48.44 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.286 -0.416 . . . . 25.0 112.05 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 629' ' ' VAL . 93.7 mttt -66.02 -24.07 66.68 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.007 0.432 . . . . 25.0 110.923 177.031 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -85.39 -35.24 21.47 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.205 -0.907 . . . . 25.0 112.048 -175.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.537 ' O ' ' HG3' ' A' ' 639' ' ' MET . 35.2 m -75.11 -21.94 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 112.802 0.667 . . . . 25.0 112.802 -172.178 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -70.7 -31.1 67.86 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.325 0.25 . . . . 25.0 111.288 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 637' ' ' GLY . . . . . 0.628 ' HA2' ' HD1' ' A' ' 640' ' ' TYR . . . -84.44 -34.35 16.99 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 116.111 -0.495 . . . . 25.0 113.884 -175.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -72.69 -19.18 61.46 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.897 0.38 . . . . 25.0 111.345 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.799 ' HE1' HD22 ' A' ' 653' ' ' LEU . 15.4 mtm -75.26 -23.1 57.43 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.521 -0.763 . . . . 25.0 112.118 176.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.628 ' HD1' ' HA2' ' A' ' 637' ' ' GLY . 29.4 m-85 -74.96 -29.44 60.92 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.985 -0.552 . . . . 25.0 111.747 -176.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -88.47 -22.05 23.88 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.154 -0.475 . . . . 25.0 111.832 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 78.4 p -96.18 -38.18 10.25 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.331 -0.395 . . . . 25.0 112.01 -176.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -91.33 147.13 23.26 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.722 0.296 . . . . 25.0 111.681 -177.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -118.01 -15.93 9.89 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.742 -0.663 . . . . 25.0 111.097 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 88.5 p -131.82 -178.79 5.04 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.761 -0.2 . . . . 25.0 111.343 -176.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -79.45 -32.98 42.79 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.306 0.484 . . . . 25.0 112.306 -178.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -80.5 -22.12 41.27 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.108 0.411 . . . . 25.0 112.108 -174.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -86.58 -45.95 10.57 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.999 -0.371 . . . . 25.0 109.999 177.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -55.28 -52.94 61.81 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.358 0.663 . . . . 25.0 111.72 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.476 ' HE2' HD11 ' A' ' 603' ' ' LEU . 11.0 m-85 -71.27 -19.78 62.3 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.062 0.764 . . . . 25.0 113.062 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -84.88 -34.07 22.67 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.441 0.162 . . . . 25.0 111.272 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.67 -40.91 98.0 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.369 0.667 . . . . 25.0 112.288 174.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.799 HD22 ' HE1' ' A' ' 639' ' ' MET . 1.2 tp -73.64 -25.56 60.35 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.866 -0.606 . . . . 25.0 112.449 174.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -84.12 -27.16 28.37 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.107 0.41 . . . . 25.0 112.107 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -74.62 -31.79 62.1 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -68.02 -29.83 68.93 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.114 -0.699 . . . . 25.0 109.114 171.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 27.6 mt -69.84 -31.0 46.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 114.9 -1.045 . . . . 25.0 110.777 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -85.39 -33.52 21.96 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.472 -0.331 . . . . 25.0 111.165 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.25 -37.4 69.12 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.108 0.41 . . . . 25.0 112.108 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.557 HG21 HG12 ' A' ' 611' ' ' ILE . 81.8 mt -69.69 -30.56 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 123.439 0.462 . . . . 25.0 109.974 177.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -70.63 -19.93 62.77 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.405 -0.816 . . . . 25.0 111.999 173.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -80.46 -38.03 30.78 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.854 0.462 . . . . 25.0 111.822 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.83 -44.95 79.79 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.689 0.796 . . . . 25.0 111.802 -176.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 76.0 mt -69.98 -19.51 63.35 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.989 -0.551 . . . . 25.0 112.212 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.543 0.703 0 C-N-CA 122.74 0.416 . . . . 25.0 111.061 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.465 0.304 0 CA-C-O 120.899 0.38 . . . . 25.0 110.69 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 95.4 mt -87.19 -32.32 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 115.29 -0.868 . . . . 25.0 111.272 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.77 -11.91 58.8 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.24 0.83 . . . . 25.0 113.24 -174.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -100.99 -11.16 19.91 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.576 -0.738 . . . . 25.0 109.726 175.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 93.3 mmm -93.29 -27.89 16.54 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.254 -0.885 . . . . 25.0 110.761 172.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -90.77 -19.67 23.24 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.624 -0.716 . . . . 25.0 111.68 -177.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -72.49 -29.27 63.49 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.541 0.21 . . . . 25.0 110.882 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.8 p -81.91 -23.31 36.31 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.945 -0.571 . . . . 25.0 111.209 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -80.13 -31.2 39.1 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.243 -0.435 . . . . 25.0 111.564 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 545' ' ' LEU . . . . . 0.449 HD13 ' CD2' ' A' ' 612' ' ' PHE . 96.7 mt -82.41 -18.09 43.15 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.008 -0.542 . . . . 25.0 111.276 175.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 16.5 mt -87.1 -28.64 22.39 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.604 -0.726 . . . . 25.0 110.924 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.5 p -76.37 -20.84 56.78 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.95 -0.568 . . . . 25.0 112.262 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -91.27 -13.83 31.99 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.767 0.655 . . . . 25.0 112.767 -176.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 38.5 mt -104.89 -29.93 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 96.8 p -105.13 -41.52 5.54 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.216 0.323 . . . . 25.0 111.484 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 44.8 m . . . . . 0 N--CA 1.483 1.218 0 C-N-CA 123.943 0.897 . . . . 25.0 112.179 -179.338 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 114.176 0.43 . . . . 25.0 114.176 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 60.2 p-90 -70.19 -33.3 71.55 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.002 0.521 . . . . 25.0 112.361 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -62.99 -36.68 84.35 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.305 0.642 . . . . 25.0 112.207 -177.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -91.05 -4.97 55.91 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 122.824 0.45 . . . . 25.0 110.937 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -104.97 -26.14 12.29 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.934 -0.576 . . . . 25.0 111.728 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.448 HG13 HD23 ' A' ' 599' ' ' LEU . 39.6 t -78.43 129.66 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 120.925 0.393 . . . . 25.0 110.317 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 66.6 p -111.27 -175.88 2.81 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.336 -0.847 . . . . 25.0 111.565 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -77.66 -17.36 57.79 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.758 168.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -77.69 -30.68 52.01 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 115.77 -0.65 . . . . 25.0 111.635 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.448 HD23 HG13 ' A' ' 595' ' ' VAL . 55.7 tp -63.95 -44.92 91.36 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 112.248 0.462 . . . . 25.0 112.248 174.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.404 ' O ' ' OE1' ' A' ' 636' ' ' GLU . 99.8 mtt180 -64.74 -25.73 68.06 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 111.951 0.352 . . . . 25.0 111.951 -177.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 69.9 p -84.63 -31.11 24.4 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.141 -0.481 . . . . 25.0 111.507 177.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -80.61 -19.98 44.25 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.92 0.488 . . . . 25.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.624 ' HA ' ' HB2' ' A' ' 606' ' ' LYS . 52.3 mt -83.32 -36.54 24.34 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.916 -0.583 . . . . 25.0 110.908 177.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.544 HG23 ' OE1' ' A' ' 636' ' ' GLU . 2.8 t -68.2 -30.78 49.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 124.109 0.964 . . . . 25.0 110.35 169.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -80.06 -17.34 52.98 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.849 -0.614 . . . . 25.0 110.053 173.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.624 ' HB2' ' HA ' ' A' ' 603' ' ' LEU . 20.2 mttt -82.78 -21.8 34.48 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.376 -0.829 . . . . 25.0 109.346 173.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 1.068 HD13 ' HB1' ' A' ' 632' ' ' ALA . 0.3 OUTLIER -86.35 -54.46 4.42 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.417 -1.265 . . . . 25.0 111.645 -176.124 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.33 -30.34 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.147 0.579 . . . . 25.0 111.913 -174.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -79.13 -34.11 43.66 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.979 0.419 . . . . 25.0 110.684 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -73.24 -36.13 66.37 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.037 -0.983 . . . . 25.0 111.802 177.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.425 HG12 HD13 ' A' ' 660' ' ' ILE . 84.4 mt -78.29 -52.38 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.032 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.721 ' CD2' HD13 ' B' ' 545' ' ' LEU . 89.9 t80 -138.6 105.82 7.65 Favored Pre-proline 0 CA--C 1.548 0.901 0 O-C-N 123.121 0.263 . . . . 25.0 110.329 172.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -68.12 135.31 34.24 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.336 2.024 . . . . 25.0 112.16 173.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 60.7 p -102.03 113.55 65.82 Favored Pre-proline 0 CA--C 1.536 0.42 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -63.94 -49.79 3.64 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 123.254 2.636 . . . . 25.0 112.361 168.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.405 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 46.2 t0 -106.85 121.7 44.07 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 114.907 -1.042 . . . . 25.0 111.073 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 55.5 Cg_endo -61.47 -10.4 16.09 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 123.068 2.512 . . . . 25.0 114.318 176.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -78.25 -8.25 58.13 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.507 0.558 . . . . 25.0 112.507 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -85.15 -9.08 58.27 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.263 0.468 . . . . 25.0 112.263 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 59.3 mt -82.2 1.7 35.19 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -175.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.42 14.43 30.12 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 121.076 0.465 . . . . 25.0 110.532 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -90.48 154.47 19.62 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.781 -0.645 . . . . 25.0 110.72 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -79.55 -33.94 41.43 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.8 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.455 ' HD3' ' HB1' ' B' ' 544' ' ' ALA . 91.4 mtt-85 -70.67 -20.05 62.73 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 114.672 -1.149 . . . . 25.0 111.68 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 53.2 tpp -82.38 -37.95 24.87 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 122.92 0.488 . . . . 25.0 110.382 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.2 -21.17 66.04 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.578 0.751 . . . . 25.0 111.983 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -69.17 -43.08 74.97 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 112.458 0.54 . . . . 25.0 112.458 -176.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.547 HD23 ' CD2' ' A' ' 631' ' ' TYR . 0.5 OUTLIER -86.36 -21.95 26.93 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.476 0.179 . . . . 25.0 111.184 179.597 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 16.6 t -55.86 -32.32 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 N-CA-C 109.349 -0.612 . . . . 25.0 109.349 167.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -81.36 -19.01 43.62 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.573 -1.194 . . . . 25.0 111.467 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 631' ' ' TYR . . . . . 0.547 ' CD2' HD23 ' A' ' 628' ' ' LEU . 20.3 m-30 -77.56 -38.38 48.66 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.024 -0.534 . . . . 25.0 110.502 171.454 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 1.068 ' HB1' HD13 ' A' ' 607' ' ' LEU . . . -80.12 -40.68 26.96 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.024 -0.535 . . . . 25.0 111.476 -176.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -53.16 -25.35 13.27 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -173.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.439 ' HE3' ' OD1' ' A' ' 638' ' ' ASP . 55.1 tptt -85.56 -35.57 20.99 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.955 0.502 . . . . 25.0 111.91 -177.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.644 ' O ' ' HG3' ' A' ' 639' ' ' MET . 9.7 m -71.21 -21.65 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 N-CA-C 113.455 0.909 . . . . 25.0 113.455 -163.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.544 ' OE1' HG23 ' A' ' 604' ' ' VAL . 4.1 pt-20 -68.76 -41.52 78.76 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 122.637 0.375 . . . . 25.0 111.378 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -78.72 -21.72 68.26 Favored Glycine 0 C--N 1.347 1.174 0 CA-C-N 115.928 -0.578 . . . . 25.0 113.773 -176.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 638' ' ' ASP . . . . . 0.439 ' OD1' ' HE3' ' A' ' 634' ' ' LYS . 94.8 m-20 -78.6 -18.94 53.79 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 122.439 0.295 . . . . 25.0 111.302 176.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.644 ' HG3' ' O ' ' A' ' 635' ' ' VAL . 27.8 mtm -76.69 -20.74 56.28 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.243 -0.435 . . . . 25.0 111.501 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.566 ' CD2' ' C ' ' A' ' 640' ' ' TYR . 0.5 OUTLIER -73.43 -31.3 63.76 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.749 -0.66 . . . . 25.0 111.585 -176.762 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -88.52 -21.49 24.11 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.102 -0.499 . . . . 25.0 111.999 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 67.2 p -96.02 -36.19 11.12 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.257 0.466 . . . . 25.0 112.257 -176.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.6 142.36 27.9 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -178.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -107.52 -20.68 13.17 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.672 -0.695 . . . . 25.0 110.752 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.2 p -131.68 156.12 46.44 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.007 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -74.26 -18.61 60.7 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.069 -0.514 . . . . 25.0 112.175 -173.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -81.21 -23.09 38.36 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.212 0.32 . . . . 25.0 110.645 175.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -86.55 -43.09 12.98 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.096 -0.502 . . . . 25.0 109.817 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -50.34 -57.77 7.18 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.985 0.914 . . . . 25.0 111.599 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.423 ' HE2' HD11 ' A' ' 599' ' ' LEU . 24.3 m-85 -63.33 -15.18 56.54 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.06 0.763 . . . . 25.0 113.06 177.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -22.94 33.46 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.411 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 86.8 mt -70.93 -45.42 64.24 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 177.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 603' ' ' LEU . 0.3 OUTLIER -68.42 -30.03 68.83 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 112.023 0.379 . . . . 25.0 112.023 177.478 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -78.68 -29.74 45.77 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.461 0.541 . . . . 25.0 112.461 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -76.96 -30.25 55.92 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.241 0.46 . . . . 25.0 112.241 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -71.57 -27.46 63.17 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.032 -0.729 . . . . 25.0 109.032 171.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 12.1 mt -72.22 -29.81 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 114.864 -1.062 . . . . 25.0 110.904 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -80.84 -36.78 31.04 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 123.074 0.234 . . . . 25.0 110.685 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -69.93 -34.72 73.84 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.891 0.476 . . . . 25.0 112.139 -178.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.425 HD13 HG12 ' A' ' 611' ' ' ILE . 69.4 mt -78.16 -35.32 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-N 116.132 -0.486 . . . . 25.0 110.159 178.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -69.96 -22.84 63.13 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.997 -0.547 . . . . 25.0 112.237 175.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -71.55 -28.81 64.11 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.9 -43.77 24.15 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 123.248 0.619 . . . . 25.0 111.166 -178.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.86 -19.65 64.25 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.789 0.663 . . . . 25.0 112.789 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 N--CA 1.475 0.786 0 C-N-CA 122.429 0.292 . . . . 25.0 111.665 176.411 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 112.311 0.486 . . . . 25.0 112.311 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 66.5 mt -86.85 -33.68 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 123.204 0.315 . . . . 25.0 111.602 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.2 -11.46 59.41 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.604 0.594 . . . . 25.0 112.604 -176.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -102.24 -6.03 23.63 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.341 -0.845 . . . . 25.0 109.647 173.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 56.0 ttm -95.92 -36.17 11.18 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.134 -0.939 . . . . 25.0 109.608 175.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -84.01 -24.06 30.69 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.52 -0.764 . . . . 25.0 112.626 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -68.03 -26.49 65.9 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 120.64 0.257 . . . . 25.0 111.093 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.7 p -82.13 -24.75 34.92 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.835 -0.621 . . . . 25.0 111.324 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 544' ' ' ALA . . . . . 0.455 ' HB1' ' HD3' ' A' ' 624' ' ' ARG . . . -84.32 -22.77 30.52 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.243 -0.435 . . . . 25.0 112.07 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 545' ' ' LEU . . . . . 0.721 HD13 ' CD2' ' A' ' 612' ' ' PHE . 94.0 mt -77.5 -25.94 50.78 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.242 0.46 . . . . 25.0 112.242 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.52 -29.05 21.62 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.403 -0.362 . . . . 25.0 111.185 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.6 p -75.39 -17.01 60.31 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.514 -0.766 . . . . 25.0 112.796 -178.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -88.82 -11.2 45.5 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.0 mt -102.75 -31.75 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 116.021 -0.536 . . . . 25.0 110.459 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 67.1 p -95.36 -37.25 11.04 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.29 0.369 . . . . 25.0 111.493 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.737 -0.649 . . . . 25.0 110.887 -179.828 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.776 0 N-CA-C 115.15 0.82 . . . . 25.0 115.15 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -68.04 -38.04 82.06 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.578 0.584 . . . . 25.0 112.578 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -72.85 -13.05 61.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 122.325 0.25 . . . . 25.0 111.397 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -82.63 -22.28 34.76 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.99 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -115.76 -22.12 9.29 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.04 0.755 . . . . 25.0 113.04 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.514 HG13 HD23 ' A' ' 599' ' ' LEU . 77.3 t -81.81 126.36 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 120.961 0.41 . . . . 25.0 110.4 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 48.1 p -112.31 -174.31 2.43 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.128 -0.942 . . . . 25.0 111.351 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -72.54 -18.62 61.62 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.59 -0.732 . . . . 25.0 109.865 169.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -82.0 -33.45 30.11 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 115.756 -0.656 . . . . 25.0 111.484 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.514 HD23 HG13 ' A' ' 595' ' ' VAL . 32.5 tp -64.36 -48.14 76.65 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 117.673 0.215 . . . . 25.0 111.189 173.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.492 ' HG2' ' OE2' ' A' ' 636' ' ' GLU . 81.6 mtp180 -55.0 -28.3 50.98 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.02 0.528 . . . . 25.0 111.978 -176.278 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.8 p -82.17 -31.56 30.4 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.462 -0.79 . . . . 25.0 111.566 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -81.09 -27.13 35.75 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.69 0.396 . . . . 25.0 110.673 177.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 21.9 mt -67.01 -31.89 72.73 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.837 0.855 . . . . 25.0 110.569 172.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 28.0 t -83.48 -32.34 9.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 114.945 -1.025 . . . . 25.0 110.917 176.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.465 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 80.4 t60 -76.28 -16.8 59.71 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.231 0.332 . . . . 25.0 110.694 176.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -85.11 -26.2 27.05 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 122.135 0.969 . . . . 25.0 108.656 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.632 HD23 ' HB1' ' A' ' 632' ' ' ALA . 47.3 tp -87.18 -40.56 14.48 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 113.066 -1.879 . . . . 25.0 111.509 -176.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 77.7 t -76.66 -23.94 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.178 0.591 . . . . 25.0 111.322 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 609' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 97.0 mm-40 -80.27 -27.52 38.58 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.761 0.315 . . . . 25.0 110.939 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -74.67 -30.78 61.71 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.591 -0.731 . . . . 25.0 111.371 175.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.561 HG12 HG21 ' A' ' 660' ' ' ILE . 75.9 mt -83.19 -53.95 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-N 116.09 -0.505 . . . . 25.0 109.691 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.402 ' HE2' ' HB ' ' A' ' 614' ' ' THR . 25.0 t80 -139.54 104.37 7.05 Favored Pre-proline 0 CA--C 1.548 0.878 0 O-C-N 123.086 0.241 . . . . 25.0 110.568 171.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.53 131.5 9.46 Favored 'Trans proline' 0 C--N 1.373 1.868 0 C-N-CA 122.479 2.12 . . . . 25.0 112.825 175.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.402 ' HB ' ' HE2' ' A' ' 612' ' ' PHE . 7.9 t -151.04 126.87 4.97 Favored Pre-proline 0 CA--C 1.545 0.773 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -53.18 -50.13 15.09 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 123.798 2.999 . . . . 25.0 113.981 170.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 49.4 t0 -71.14 116.07 42.99 Favored Pre-proline 0 N--CA 1.473 0.694 0 CA-C-N 115.453 -0.794 . . . . 25.0 112.288 -177.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 58.4 Cg_endo -67.25 -10.54 29.0 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.719 2.28 . . . . 25.0 113.791 173.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -74.31 -10.14 59.29 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.753 0.649 . . . . 25.0 112.753 -176.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.18 -14.98 52.32 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 122.517 0.327 . . . . 25.0 111.68 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 72.4 mt -87.31 -0.27 56.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.875 -0.602 . . . . 25.0 112.012 -177.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -106.18 14.32 27.77 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.104 0.478 . . . . 25.0 110.595 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -87.66 159.82 18.37 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.805 -0.634 . . . . 25.0 110.898 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -73.26 -50.82 20.2 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.824 -0.625 . . . . 25.0 111.323 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -57.92 -30.63 66.08 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.453 0.701 . . . . 25.0 112.591 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.651 ' N ' HD21 ' B' ' 545' ' ' LEU . 50.5 tpp -81.46 -36.25 29.59 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.065 -0.516 . . . . 25.0 111.597 -177.31 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.78 -21.38 63.01 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -76.72 -25.2 53.28 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 120.718 0.294 . . . . 25.0 111.361 175.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 631' ' ' TYR . 79.5 mt -86.04 -42.15 14.21 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.834 -0.621 . . . . 25.0 109.877 175.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.64 -34.28 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 123.311 0.644 . . . . 25.0 110.654 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -79.07 -18.78 52.82 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.505 -0.77 . . . . 25.0 111.485 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 631' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 628' ' ' LEU . 17.3 m-30 -76.04 -37.2 58.61 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.931 -0.577 . . . . 25.0 110.742 172.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.632 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -83.55 -36.35 24.07 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.232 -0.44 . . . . 25.0 111.593 -178.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -67.51 -20.01 65.39 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.207 0.603 . . . . 25.0 111.228 177.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -85.85 -36.28 20.1 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.367 -0.833 . . . . 25.0 111.74 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.46 HG11 ' HD2' ' A' ' 656' ' ' LYS . 18.5 t -73.05 -45.05 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 112.681 0.622 . . . . 25.0 112.681 -172.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.492 ' OE2' ' HG2' ' A' ' 600' ' ' ARG . 13.8 tm-20 -57.08 -29.57 63.59 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.423 0.689 . . . . 25.0 111.953 -177.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.89 -25.05 75.71 Favored Glycine 0 C--N 1.347 1.19 0 O-C-N 123.205 0.316 . . . . 25.0 113.472 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -84.85 -19.08 32.95 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.717 0.407 . . . . 25.0 111.099 176.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.644 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 3.9 mtm -71.57 -35.87 70.73 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.145 -0.48 . . . . 25.0 112.104 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.422 ' CE2' ' HG3' ' A' ' 641' ' ' GLU . 0.0 OUTLIER -75.69 -24.56 56.27 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.126 -0.488 . . . . 25.0 110.735 178.8 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.422 ' HG3' ' CE2' ' A' ' 640' ' ' TYR . 75.0 mt-10 -88.64 -26.48 21.86 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.948 0.899 . . . . 25.0 111.086 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 85.7 p -96.45 -41.38 8.62 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.091 0.404 . . . . 25.0 112.091 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.41 140.83 29.13 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.678 0.275 . . . . 25.0 111.722 -176.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -109.77 -6.38 15.29 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.767 -0.651 . . . . 25.0 111.017 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 74.9 m -131.56 157.61 43.16 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.863 0.363 . . . . 25.0 110.585 -175.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -72.06 -29.81 64.5 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.542 -0.754 . . . . 25.0 111.909 -176.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.53 -23.52 37.2 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.236 0.335 . . . . 25.0 111.301 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -86.35 -39.89 15.99 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 122.594 0.358 . . . . 25.0 110.184 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -57.01 -51.03 70.88 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.236 0.614 . . . . 25.0 111.339 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -75.52 -16.02 60.33 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.386 0.884 . . . . 25.0 113.386 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -81.64 -46.81 13.84 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.074 0.15 . . . . 25.0 111.385 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 78.9 mt -51.73 -39.56 58.67 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.67 0.788 . . . . 25.0 112.901 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.644 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -72.59 -38.66 67.8 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.948 -0.569 . . . . 25.0 111.773 176.113 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.72 -24.96 64.53 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.333 -0.394 . . . . 25.0 111.23 175.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -74.38 -40.88 61.8 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.679 -0.691 . . . . 25.0 111.578 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.46 ' HD2' HG11 ' A' ' 635' ' ' VAL . 24.2 mttp -68.46 -24.95 64.76 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.777 -0.453 . . . . 25.0 109.777 174.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 5.2 mt -70.57 -31.99 48.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.477 -0.783 . . . . 25.0 110.224 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -85.34 -33.28 22.08 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.988 -0.551 . . . . 25.0 111.256 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -74.57 -33.06 62.59 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 -176.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.561 HG21 HG12 ' A' ' 611' ' ' ILE . 97.3 mt -76.04 -28.66 18.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.012 0.435 . . . . 25.0 109.841 176.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -69.38 -19.92 63.83 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.533 -0.758 . . . . 25.0 112.114 172.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -75.65 -40.23 56.48 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.648 0.379 . . . . 25.0 111.918 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -71.24 -43.05 68.04 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.915 0.486 . . . . 25.0 112.168 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.25 -19.24 64.38 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 112.488 0.551 . . . . 25.0 112.488 171.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 CA--C 1.54 0.578 0 C-N-CA 122.445 0.298 . . . . 25.0 110.655 178.906 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 N--CA 1.464 0.252 0 N-CA-C 111.746 0.276 . . . . 25.0 111.746 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 48.8 mm -86.65 -32.55 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 123.232 0.333 . . . . 25.0 111.251 -179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 538' ' ' ALA . . . . . 0.561 ' O ' ' HB2' ' B' ' 542' ' ' PHE . . . -81.28 -11.21 59.42 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 -171.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -106.42 -3.44 21.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.935 -0.575 . . . . 25.0 109.95 174.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 82.8 mtp -102.78 -29.43 11.48 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.189 -0.914 . . . . 25.0 110.682 173.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 541' ' ' ASP . . . . . 0.468 ' HB3' HD12 ' B' ' 545' ' ' LEU . 0.6 OUTLIER -95.55 -19.77 19.53 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.538 -0.755 . . . . 25.0 111.298 -177.248 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 542' ' ' PHE . . . . . 0.561 ' HB2' ' O ' ' B' ' 538' ' ' ALA . 50.4 t80 -69.65 -17.73 63.52 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 111.861 0.319 . . . . 25.0 111.861 -176.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 91.4 p -81.23 -40.0 24.48 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.417 0.448 . . . . 25.0 112.148 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.82 -21.96 29.66 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.364 -0.38 . . . . 25.0 111.329 176.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 545' ' ' LEU . . . . . 0.651 HD21 ' N ' ' A' ' 625' ' ' MET . 33.5 mt -85.49 -24.98 27.13 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.436 -0.802 . . . . 25.0 112.23 -176.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 66.5 tp -87.65 -18.22 30.09 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 117.924 0.329 . . . . 25.0 111.461 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.8 p -75.6 -16.13 60.27 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.039 0.535 . . . . 25.0 112.097 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -76.64 -11.29 59.83 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 43.1 mm -95.54 -31.94 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.603 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 76.4 p -93.6 -37.86 11.65 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.273 0.358 . . . . 25.0 111.56 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 39.0 m . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.748 -0.644 . . . . 25.0 110.893 179.703 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 112.501 -0.24 . . . . 25.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 95.2 t -90.4 135.42 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 122.479 0.312 . . . . 25.0 110.16 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -91.04 133.6 35.18 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.791 -0.64 . . . . 25.0 111.452 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.556 ' HD2' ' O ' ' A' ' 644' ' ' ASN . 52.2 mttt -109.66 -174.02 2.4 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.744 -0.662 . . . . 25.0 111.099 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -59.88 -38.53 94.21 Favored Glycine 0 C--N 1.347 1.174 0 N-CA-C 114.404 0.522 . . . . 25.0 114.404 -176.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 55.9 p-90 -58.76 -36.46 74.42 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.317 0.647 . . . . 25.0 112.702 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -65.13 -39.23 92.74 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.033 0.533 . . . . 25.0 111.936 -175.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -90.82 -3.32 57.48 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.296 0.372 . . . . 25.0 111.583 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -103.52 -26.03 12.99 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.921 -0.581 . . . . 25.0 111.548 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.565 ' HA ' HD12 ' A' ' 599' ' ' LEU . 18.0 t -79.97 127.45 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 N-CA-C 110.058 -0.349 . . . . 25.0 110.058 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.411 ' H ' HD12 ' A' ' 599' ' ' LEU . 42.8 p -108.35 179.81 4.1 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.522 -0.763 . . . . 25.0 111.341 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -78.04 -18.16 56.18 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.738 -0.665 . . . . 25.0 110.286 170.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -85.11 -28.22 25.73 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.927 -0.579 . . . . 25.0 111.074 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 595' ' ' VAL . 25.2 mt -69.11 -49.03 60.77 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 122.9 0.125 . . . . 25.0 111.069 173.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 604' ' ' VAL . 99.6 mtt180 -57.0 -21.84 33.83 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 -176.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 83.8 p -84.25 -32.58 24.37 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.16 -0.473 . . . . 25.0 111.293 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -82.38 -20.31 37.42 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.828 0.451 . . . . 25.0 110.957 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.522 HD21 ' CE2' ' A' ' 650' ' ' TYR . 13.0 mt -74.44 -32.91 62.79 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.821 0.848 . . . . 25.0 110.378 176.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 600' ' ' ARG . 96.7 t -83.02 -32.74 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-N 114.857 -1.065 . . . . 25.0 110.299 176.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -74.67 -16.96 60.75 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.143 -0.48 . . . . 25.0 110.236 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -83.83 -24.77 30.8 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.369 -0.832 . . . . 25.0 109.042 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.409 HD11 ' CD1' ' A' ' 653' ' ' LEU . 2.4 mt -86.69 -39.71 15.78 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.164 -1.38 . . . . 25.0 111.642 -177.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 3.6 p -73.4 -24.3 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 122.99 0.516 . . . . 25.0 111.42 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -81.8 -26.91 33.99 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.613 0.244 . . . . 25.0 111.557 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -80.62 -34.23 35.24 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.892 -0.595 . . . . 25.0 111.585 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.52 HG12 HG21 ' A' ' 660' ' ' ILE . 95.2 mt -77.17 -48.99 23.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 116.245 -0.434 . . . . 25.0 109.929 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.425 ' CD2' HD13 ' B' ' 545' ' ' LEU . 67.3 t80 -141.74 114.42 6.6 Favored Pre-proline 0 CA--C 1.547 0.833 0 O-C-N 123.241 0.338 . . . . 25.0 110.277 172.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 613' ' ' PRO . . . . . 0.475 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 51.8 Cg_exo -63.61 141.13 78.54 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 122.383 2.055 . . . . 25.0 112.241 173.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 616' ' ' ASP . 27.1 m -90.04 113.24 56.45 Favored Pre-proline 0 C--O 1.237 0.418 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 84.6 Cg_exo -62.61 -52.98 2.0 Allowed 'Trans proline' 0 C--N 1.368 1.567 0 C-N-CA 123.489 2.793 . . . . 25.0 112.588 168.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.461 ' OD1' ' HD2' ' A' ' 617' ' ' PRO . 7.6 t70 -126.27 142.33 42.46 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 114.929 -1.032 . . . . 25.0 111.045 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.461 ' HD2' ' OD1' ' A' ' 616' ' ' ASP . 42.4 Cg_exo -57.58 -12.77 12.0 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 123.883 3.055 . . . . 25.0 113.986 174.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -82.88 -19.61 37.1 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -66.0 -18.47 65.36 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.471 0.545 . . . . 25.0 112.471 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 95.7 mt -79.19 -12.17 59.97 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.244 0.461 . . . . 25.0 112.244 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -106.04 14.71 27.46 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.058 0.456 . . . . 25.0 110.435 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -86.4 163.2 17.75 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.817 -0.629 . . . . 25.0 110.905 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.16 -52.81 9.32 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 122.737 0.415 . . . . 25.0 111.586 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 16.4 mmm-85 -61.06 -30.18 70.17 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 61.6 tpp -72.81 -40.31 65.96 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.489 0.316 . . . . 25.0 110.853 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 626' ' ' GLU . . . . . 0.436 ' HA ' ' HB ' ' A' ' 629' ' ' VAL . 38.8 tt0 -64.47 -20.12 65.99 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.919 0.711 . . . . 25.0 112.919 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -68.72 -41.87 78.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 93.2 mt -86.29 -21.77 27.14 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.566 0.222 . . . . 25.0 110.722 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.531 HG12 ' HD2' ' A' ' 633' ' ' LYS . 2.2 t -55.26 -32.77 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 109.383 -0.599 . . . . 25.0 109.383 167.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -77.98 -18.93 55.38 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 114.508 -1.224 . . . . 25.0 111.522 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 42.3 t80 -75.91 -42.68 48.21 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.086 -0.506 . . . . 25.0 110.154 169.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.1 -23.83 30.59 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.411 0.444 . . . . 25.0 112.048 -174.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.531 ' HD2' HG12 ' A' ' 629' ' ' VAL . 32.0 mttt -67.78 -24.6 65.34 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.093 0.473 . . . . 25.0 111.284 174.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -85.87 -36.55 19.89 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.001 -1.0 . . . . 25.0 112.217 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.81 -35.73 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -168.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.411 ' HA ' ' SD ' ' A' ' 639' ' ' MET . 9.2 tm-20 -51.71 -38.31 54.61 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.884 0.473 . . . . 25.0 112.199 -177.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.36 -19.64 77.69 Favored Glycine 0 C--N 1.347 1.174 0 CA-C-N 116.002 -0.544 . . . . 25.0 113.569 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -82.35 -19.37 39.41 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.53 0.332 . . . . 25.0 110.495 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.435 ' HG2' ' HB2' ' A' ' 652' ' ' LEU . 2.7 mtp -82.77 -22.93 34.14 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.278 -0.419 . . . . 25.0 111.351 175.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -77.22 -31.74 55.38 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.964 -0.562 . . . . 25.0 111.273 -176.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -89.06 -26.03 21.62 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.995 -0.548 . . . . 25.0 111.864 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 91.2 p -95.31 -39.67 9.93 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.664 0.616 . . . . 25.0 112.664 -173.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.35 145.95 24.56 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 111.847 0.314 . . . . 25.0 111.847 -176.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.556 ' O ' ' HD2' ' A' ' 589' ' ' LYS . 68.6 m-80 -116.77 -6.22 11.55 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.683 -0.689 . . . . 25.0 111.876 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 80.1 p -132.6 163.94 27.77 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.526 -0.307 . . . . 25.0 110.928 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 73.5 ttt-85 -72.7 -28.28 62.58 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.941 -0.572 . . . . 25.0 111.459 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.38 -25.28 36.42 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 123.252 0.345 . . . . 25.0 111.565 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -86.08 -45.36 11.47 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 110.183 -0.303 . . . . 25.0 110.183 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -52.89 -55.1 25.72 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.372 0.669 . . . . 25.0 111.491 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.522 ' CE2' HD21 ' A' ' 603' ' ' LEU . 13.0 m-30 -67.83 -16.13 63.95 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 177.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -84.63 -36.87 21.7 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.487 0.315 . . . . 25.0 111.758 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.435 ' HB2' ' HG2' ' A' ' 639' ' ' MET . 85.3 mt -65.71 -37.02 85.26 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.017 0.527 . . . . 25.0 112.112 178.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.409 ' CD1' HD11 ' A' ' 607' ' ' LEU . 6.2 tt -72.96 -27.68 61.97 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.994 -0.548 . . . . 25.0 112.019 172.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -82.02 -28.0 32.76 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.279 0.474 . . . . 25.0 112.279 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -71.85 -35.77 69.95 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -65.02 -29.75 70.68 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 171.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 4.3 mt -68.88 -38.97 79.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-N 115.242 -0.89 . . . . 25.0 111.129 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -84.49 -29.22 26.18 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.957 0.408 . . . . 25.0 110.446 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -74.88 -28.22 60.56 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 115.152 -0.931 . . . . 25.0 112.277 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.52 HG21 HG12 ' A' ' 611' ' ' ILE . 91.0 mt -82.27 -27.58 9.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 175.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -65.19 -19.4 65.96 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.709 -0.678 . . . . 25.0 112.236 173.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -73.56 -43.02 60.85 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 122.862 0.465 . . . . 25.0 112.056 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -70.09 -39.49 75.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 122.978 0.511 . . . . 25.0 112.339 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.17 -21.65 66.35 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.299 0.481 . . . . 25.0 112.299 172.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -86.33 -19.97 29.01 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 122.615 0.366 . . . . 25.0 110.929 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -75.49 -26.28 58.03 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.66 0.384 . . . . 25.0 111.361 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 671' ' ' ARG . 33.8 mmtm -86.47 -17.41 34.3 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.022 -0.535 . . . . 25.0 111.319 175.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -84.49 -47.7 10.35 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.899 -0.591 . . . . 25.0 111.722 -174.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -91.65 -48.24 6.94 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 111.671 0.249 . . . . 25.0 111.671 -174.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 87.2 p -101.98 -11.36 19.0 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.439 0.533 . . . . 25.0 112.439 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.498 ' HA ' ' O ' ' A' ' 667' ' ' LYS . 95.6 mtt-85 68.55 1.19 2.88 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.248 1.019 . . . . 25.0 112.369 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 117.963 -1.017 . . . . 25.0 110.734 177.703 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.501 -0.24 . . . . 25.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 42.2 t 62.05 119.27 0.02 OUTLIER Pre-proline 0 N--CA 1.485 1.315 0 C-N-CA 124.269 1.027 . . . . 25.0 111.937 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -74.41 -22.47 16.17 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.374 2.049 . . . . 25.0 113.884 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -177.54 -51.28 0.07 OUTLIER Glycine 0 C--N 1.339 0.725 0 C-N-CA 121.392 -0.432 . . . . 25.0 112.81 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 85.1 t80 59.42 87.08 0.14 Allowed Pre-proline 0 CA--C 1.555 1.166 0 C-N-CA 123.97 0.908 . . . . 25.0 111.384 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -69.04 153.99 71.32 Favored 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 122.772 2.314 . . . . 25.0 113.077 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -98.85 130.98 45.29 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.827 -0.624 . . . . 25.0 110.394 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 120.85 101.57 1.8 Allowed Glycine 0 C--N 1.338 0.645 0 CA-C-N 115.787 -0.642 . . . . 25.0 112.441 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 527' ' ' LEU . . . . . 0.533 ' C ' ' H ' ' B' ' 529' ' ' SER . 79.1 mt -125.44 129.87 50.7 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.691 -0.485 . . . . 25.0 109.691 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 52.5 mt 61.46 -12.76 0.05 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.641 1.177 . . . . 25.0 112.615 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 529' ' ' SER . . . . . 0.533 ' H ' ' C ' ' B' ' 527' ' ' LEU . 77.1 p -128.18 15.08 6.75 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.013 -0.54 . . . . 25.0 111.083 178.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -95.2 -48.73 2.36 Favored Glycine 0 C--N 1.342 0.906 0 CA-C-N 116.03 -0.532 . . . . 25.0 113.109 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -123.67 -0.6 8.58 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.07 0.462 . . . . 25.0 110.334 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -101.74 -4.4 26.49 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.403 -0.817 . . . . 25.0 112.188 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.06 -33.85 16.99 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.382 -0.826 . . . . 25.0 111.833 -175.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -87.91 -12.01 45.98 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.708 0.289 . . . . 25.0 111.336 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 84.6 p -67.92 -20.38 65.08 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.717 -0.674 . . . . 25.0 111.401 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 77.9 p -83.35 -28.39 29.03 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.733 -0.667 . . . . 25.0 110.679 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 81.5 mt -86.82 -25.65 6.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 115.362 -0.836 . . . . 25.0 111.251 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.26 -11.3 59.41 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.771 0.656 . . . . 25.0 112.771 -175.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -102.5 -11.18 18.74 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.366 -0.834 . . . . 25.0 109.614 173.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 92.8 mtp -89.25 -29.01 19.53 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.255 -0.884 . . . . 25.0 110.926 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -90.95 -21.15 21.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.84 -0.618 . . . . 25.0 111.629 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -76.85 -28.01 55.32 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.102 0.251 . . . . 25.0 110.98 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 77.1 p -81.78 -24.78 35.77 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.097 -0.501 . . . . 25.0 111.616 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.29 -22.58 30.65 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.184 0.438 . . . . 25.0 112.184 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' A' ' 612' ' ' PHE . 79.1 mt -81.05 -22.91 38.94 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.49 -32.33 19.51 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.834 0.349 . . . . 25.0 110.989 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.6 p -76.27 -16.95 59.68 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.481 -0.782 . . . . 25.0 112.523 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -91.98 -11.61 35.61 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.827 0.677 . . . . 25.0 112.827 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 86.4 mt -101.93 -32.95 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.22 -0.445 . . . . 25.0 111.956 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 95.4 p -99.13 -34.6 10.31 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 123.317 0.386 . . . . 25.0 111.25 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 117.978 -1.01 . . . . 25.0 112.26 179.777 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.499 -0.24 . . . . 25.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 73.3 t -90.16 140.83 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 109.869 -0.419 . . . . 25.0 109.869 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -92.55 124.06 36.31 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.868 -0.606 . . . . 25.0 110.515 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -127.69 131.35 49.79 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.248 -0.433 . . . . 25.0 111.27 -177.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -80.84 -19.15 68.43 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-N 115.579 -0.737 . . . . 25.0 113.856 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.506 ' CZ3' ' HD2' ' A' ' 646' ' ' ARG . 91.0 m95 -84.46 -18.6 35.37 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -178.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -80.86 -13.25 59.1 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.352 -0.385 . . . . 25.0 111.64 171.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -76.96 -38.87 52.42 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.303 0.483 . . . . 25.0 112.303 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -90.16 -20.58 22.92 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.147 0.28 . . . . 25.0 111.695 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 52.8 t -85.24 128.51 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 73.2 p -111.12 -176.67 3.01 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.649 -0.705 . . . . 25.0 111.845 -176.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -78.69 -17.76 55.41 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.337 -0.847 . . . . 25.0 110.029 170.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -83.02 -25.29 32.31 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.846 -0.616 . . . . 25.0 111.138 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 3.2 tp -66.61 -50.35 63.29 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 122.885 0.116 . . . . 25.0 111.281 172.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -58.09 -22.39 50.29 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 -174.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.9 p -83.82 -31.91 25.58 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 123.408 0.443 . . . . 25.0 111.247 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -80.5 -22.99 40.43 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.008 0.523 . . . . 25.0 110.572 176.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.418 HD21 ' CE2' ' A' ' 650' ' ' TYR . 6.6 mt -74.9 -32.59 61.87 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.113 -0.949 . . . . 25.0 110.126 174.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 11.6 t -83.49 -31.15 8.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 114.951 -1.022 . . . . 25.0 110.918 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 38.0 m170 -76.64 -16.91 59.43 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 120.896 0.379 . . . . 25.0 110.661 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -85.29 -26.42 26.62 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 122.077 0.941 . . . . 25.0 108.817 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.528 HD22 HD11 ' A' ' 653' ' ' LEU . 23.0 tp -87.58 -40.35 14.32 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 113.071 -1.877 . . . . 25.0 111.775 -176.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.07 -21.52 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 123.329 0.651 . . . . 25.0 111.365 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -83.14 -27.3 30.22 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.591 0.234 . . . . 25.0 111.289 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.9 -23.04 48.84 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.882 -0.599 . . . . 25.0 111.466 174.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.601 HG12 HG21 ' A' ' 660' ' ' ILE . 95.3 mt -87.4 -59.07 2.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 177.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -143.97 106.47 4.91 Favored Pre-proline 0 CA--C 1.547 0.855 0 N-CA-C 110.089 -0.337 . . . . 25.0 110.089 171.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -80.68 145.43 16.21 Favored 'Trans proline' 0 C--N 1.372 1.816 0 C-N-CA 121.999 1.799 . . . . 25.0 112.523 174.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 87.7 m -143.75 124.86 8.03 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 116.26 -0.427 . . . . 25.0 112.073 -177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -49.08 -52.17 9.24 Favored 'Trans proline' 0 C--N 1.372 1.78 0 C-N-CA 124.076 3.184 . . . . 25.0 114.108 171.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -86.07 116.36 65.46 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 115.423 -0.808 . . . . 25.0 111.727 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -63.28 -10.13 20.1 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.926 2.417 . . . . 25.0 114.057 174.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.29 -10.45 59.47 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -82.68 -16.88 46.51 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 122.548 0.339 . . . . 25.0 111.748 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.475 HD23 ' SD ' ' A' ' 625' ' ' MET . 97.6 mt -84.04 1.04 45.76 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.147 -0.479 . . . . 25.0 112.115 -177.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -104.57 14.63 29.58 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.933 0.397 . . . . 25.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -88.6 157.77 18.48 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.78 -0.646 . . . . 25.0 110.818 -177.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 16.7 mmp_? -78.65 -37.45 41.95 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.827 -176.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -72.42 -23.16 61.05 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 114.66 -1.155 . . . . 25.0 111.936 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.475 ' SD ' HD23 ' A' ' 620' ' ' LEU . 0.0 OUTLIER -88.97 -35.2 16.56 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 122.832 0.453 . . . . 25.0 110.844 178.318 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -54.68 -20.41 8.18 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.543 0.737 . . . . 25.0 112.699 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -66.34 -41.09 90.09 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 122.842 0.457 . . . . 25.0 111.828 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.595 HD23 ' CD2' ' A' ' 631' ' ' TYR . 91.5 mt -86.52 -27.86 23.75 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.985 0.178 . . . . 25.0 111.048 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.09 -34.51 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 170.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -77.35 -18.67 57.2 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.802 -1.09 . . . . 25.0 111.395 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.595 ' CD2' HD23 ' A' ' 628' ' ' LEU . 5.6 m-30 -79.57 -34.65 40.69 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.679 -0.692 . . . . 25.0 110.693 172.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.411 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -84.6 -35.57 22.65 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.156 -0.475 . . . . 25.0 112.24 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -66.4 -26.05 67.06 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.929 0.492 . . . . 25.0 112.273 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -85.25 -30.01 24.17 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.785 0.661 . . . . 25.0 112.785 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.445 ' O ' ' HG3' ' A' ' 639' ' ' MET . 77.6 t -73.99 -36.73 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 111.583 0.216 . . . . 25.0 111.583 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.81 -30.55 71.56 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.074 0.549 . . . . 25.0 111.368 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -82.94 -21.18 59.74 Favored Glycine 0 C--N 1.346 1.132 0 O-C-N 123.486 0.491 . . . . 25.0 113.357 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -83.93 -18.63 36.69 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 122.779 0.432 . . . . 25.0 110.584 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.734 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 9.1 mtm -70.23 -25.23 63.29 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.802 0.667 . . . . 25.0 112.802 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -74.99 -33.48 61.86 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 111.65 0.241 . . . . 25.0 111.65 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -88.34 -19.62 26.44 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.956 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 95.3 p -96.15 -33.91 11.87 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.235 0.334 . . . . 25.0 111.771 -177.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -95.95 141.55 29.24 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.195 0.309 . . . . 25.0 111.631 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -112.31 -8.18 13.95 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.802 -0.635 . . . . 25.0 111.981 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 94.4 p -132.7 171.59 13.66 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.311 -0.404 . . . . 25.0 110.953 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.506 ' HD2' ' CZ3' ' A' ' 591' ' ' TRP . 79.1 ttt-85 -76.87 -33.69 57.84 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -81.06 -20.08 42.38 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 123.167 0.292 . . . . 25.0 111.587 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -85.86 -37.38 19.23 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.864 -0.421 . . . . 25.0 109.864 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -58.46 -55.82 30.11 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.273 0.629 . . . . 25.0 111.385 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.418 ' CE2' HD21 ' A' ' 603' ' ' LEU . 62.5 m-85 -72.82 -17.84 61.52 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.557 0.947 . . . . 25.0 113.557 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -84.66 -40.25 17.63 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 111.782 0.29 . . . . 25.0 111.782 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 36.0 mt -54.08 -42.97 69.93 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.403 0.681 . . . . 25.0 112.61 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.734 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -68.39 -33.5 74.36 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.882 -0.599 . . . . 25.0 111.697 174.399 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.435 ' O ' ' CD1' ' A' ' 658' ' ' TYR . . . -72.67 -25.81 61.4 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.194 -0.457 . . . . 25.0 111.325 175.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -67.58 -45.44 75.54 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.856 -0.611 . . . . 25.0 112.195 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -68.14 -24.81 65.04 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 1.7 mt -72.9 -29.38 29.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 CA-C-N 115.53 -0.759 . . . . 25.0 110.011 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 658' ' ' TYR . . . . . 0.435 ' CD1' ' O ' ' A' ' 654' ' ' ALA . 35.0 m-85 -84.71 -32.65 23.41 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.079 -0.51 . . . . 25.0 110.999 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -78.87 -31.38 45.52 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 123.534 0.521 . . . . 25.0 112.388 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.601 HG21 HG12 ' A' ' 611' ' ' ILE . 96.7 mt -76.97 -28.55 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.719 -0.475 . . . . 25.0 109.719 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -70.12 -19.66 63.22 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.345 -0.843 . . . . 25.0 112.078 172.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -77.62 -40.79 40.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.758 0.423 . . . . 25.0 111.777 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -73.59 -41.71 62.51 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.009 0.524 . . . . 25.0 111.66 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.5 -18.51 62.28 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.334 -0.848 . . . . 25.0 112.255 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.38 -20.38 66.36 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.011 0.524 . . . . 25.0 111.484 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -73.86 -21.59 60.05 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.822 0.449 . . . . 25.0 111.193 174.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -86.03 -18.21 33.12 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.903 -0.59 . . . . 25.0 110.979 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -82.8 -16.96 45.79 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.971 -0.559 . . . . 25.0 111.37 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -91.51 -41.61 10.72 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.285 -0.416 . . . . 25.0 111.16 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 96.9 p -80.6 -23.17 40.0 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.823 0.675 . . . . 25.0 112.823 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -93.38 -10.01 36.71 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.744 0.307 . . . . 25.0 111.499 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.094 -0.955 . . . . 25.0 110.746 178.739 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.452 -0.259 . . . . 25.0 112.452 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 28.1 t -115.6 128.79 25.67 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-O 119.556 -0.259 . . . . 25.0 111.017 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -73.55 138.34 26.71 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.397 2.064 . . . . 25.0 113.329 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 114.75 136.09 6.07 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 115.899 -0.592 . . . . 25.0 112.635 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -112.11 99.94 47.68 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 110.25 -0.278 . . . . 25.0 110.25 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -65.86 141.81 66.67 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 122.696 2.264 . . . . 25.0 113.124 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -127.93 136.52 51.45 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.888 -0.596 . . . . 25.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 129.23 33.05 0.55 Allowed Glycine 0 C--N 1.336 0.563 0 CA-C-N 115.796 -0.638 . . . . 25.0 113.069 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 95.0 mt -124.38 20.72 8.78 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.746 0.308 . . . . 25.0 111.149 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.14 -1.14 7.04 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.031 0.443 . . . . 25.0 111.253 -175.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 48.1 t -151.24 88.36 1.44 Allowed 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.67 -0.695 . . . . 25.0 109.814 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -163.4 -42.52 0.02 OUTLIER Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.619 -0.718 . . . . 25.0 112.88 -178.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -117.48 1.95 12.37 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.058 0.456 . . . . 25.0 110.891 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -95.82 -4.43 43.81 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.26 -0.882 . . . . 25.0 112.389 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -84.97 -35.64 21.89 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.31 -0.859 . . . . 25.0 111.306 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 22.6 m-30 -89.07 -11.81 43.03 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 122.512 0.325 . . . . 25.0 110.834 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 84.6 p -66.62 -21.76 66.12 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 122.965 0.506 . . . . 25.0 112.059 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 87.6 p -89.1 -23.67 22.45 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.366 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 66.9 mt -86.81 -30.84 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 116.339 -0.391 . . . . 25.0 111.102 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.98 -11.65 58.75 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.831 0.678 . . . . 25.0 112.831 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -98.73 -14.07 19.93 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.414 -0.812 . . . . 25.0 109.824 175.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 96.1 mtp -92.11 -27.8 17.51 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.264 -0.88 . . . . 25.0 110.888 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -92.57 -19.56 21.81 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.518 -0.764 . . . . 25.0 111.752 -177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -73.64 -25.52 60.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.457 0.17 . . . . 25.0 111.21 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.8 p -81.81 -25.49 35.17 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.115 -0.493 . . . . 25.0 111.624 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.2 -22.81 30.78 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.275 -0.42 . . . . 25.0 112.009 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 58.9 mt -83.37 -16.55 45.57 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.553 0.575 . . . . 25.0 112.553 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 93.5 mt -77.68 -43.33 31.57 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.915 0.388 . . . . 25.0 110.817 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.6 p -76.81 -16.21 59.51 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.251 -0.886 . . . . 25.0 111.944 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -74.64 -27.52 60.48 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.122 0.569 . . . . 25.0 112.188 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 40.8 pt -104.89 -19.47 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 115.764 -0.653 . . . . 25.0 112.27 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 81.0 p -94.74 -38.1 10.95 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.364 0.415 . . . . 25.0 111.369 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 117.954 -1.022 . . . . 25.0 110.866 179.767 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.517 -0.233 . . . . 25.0 112.517 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 34.1 m -90.43 155.86 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -91.53 123.38 34.9 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.196 -0.457 . . . . 25.0 111.424 -174.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -130.36 -172.03 2.69 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.291 -0.868 . . . . 25.0 110.797 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -63.95 -38.33 95.91 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 114.332 0.493 . . . . 25.0 114.332 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.494 ' HD1' ' H ' ' A' ' 592' ' ' HIS . 0.3 OUTLIER -68.31 -34.85 76.87 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.666 0.617 . . . . 25.0 112.666 -177.492 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 592' ' ' HIS . . . . . 0.494 ' H ' ' HD1' ' A' ' 591' ' ' TRP . 61.4 t-80 -71.05 -12.92 61.78 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 122.595 0.358 . . . . 25.0 111.623 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -83.0 -25.67 32.0 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -112.22 -23.65 10.28 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.882 0.697 . . . . 25.0 112.882 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.508 HG22 HD23 ' A' ' 599' ' ' LEU . 77.5 t -79.82 125.83 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 120.851 0.358 . . . . 25.0 110.156 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 66.8 p -112.45 -176.48 2.92 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.325 -0.852 . . . . 25.0 111.238 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -71.4 -18.69 62.33 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.55 -0.75 . . . . 25.0 110.025 166.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -83.3 -39.06 21.29 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 116.148 -0.478 . . . . 25.0 112.171 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.508 HD23 HG22 ' A' ' 595' ' ' VAL . 60.3 tp -62.75 -47.13 84.9 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 111.843 0.312 . . . . 25.0 111.843 177.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -57.61 -29.46 64.54 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.748 0.419 . . . . 25.0 111.66 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 69.6 p -80.55 -25.92 38.32 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.346 -0.843 . . . . 25.0 111.138 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -84.67 -20.31 31.47 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.01 -0.541 . . . . 25.0 110.894 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 35.7 mt -78.63 -37.13 42.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.56 0.744 . . . . 25.0 109.674 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 53.5 t -71.52 -35.61 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 114.728 -1.124 . . . . 25.0 110.65 171.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -74.92 -17.22 60.6 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.857 0.361 . . . . 25.0 110.388 175.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -83.22 -22.7 33.06 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.438 -0.801 . . . . 25.0 109.178 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.499 HD23 ' HB1' ' A' ' 632' ' ' ALA . 3.2 tp -86.53 -43.59 12.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.13 -1.396 . . . . 25.0 111.5 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 63.7 t -71.02 -24.3 24.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.344 0.657 . . . . 25.0 111.414 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -84.9 -26.89 27.0 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.575 0.226 . . . . 25.0 111.285 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -75.66 -28.77 58.86 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.889 -0.596 . . . . 25.0 111.286 174.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 51.9 mt -91.25 -41.29 13.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 116.088 -0.506 . . . . 25.0 109.764 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -134.59 100.69 12.26 Favored Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 122.79 0.436 . . . . 25.0 110.205 174.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.3 133.68 13.5 Favored 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.418 2.079 . . . . 25.0 112.492 174.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.23 126.87 5.65 Favored Pre-proline 0 CA--C 1.543 0.704 0 CA-C-N 116.357 -0.383 . . . . 25.0 111.924 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -52.85 -52.45 8.81 Favored 'Trans proline' 0 C--N 1.371 1.73 0 C-N-CA 123.814 3.01 . . . . 25.0 114.067 172.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 41.6 t0 -86.83 121.69 71.73 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 115.561 -0.745 . . . . 25.0 112.163 -176.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 55.5 Cg_endo -63.46 -10.23 20.92 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 123.037 2.491 . . . . 25.0 114.085 173.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.13 -8.19 57.07 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.852 0.686 . . . . 25.0 112.852 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.62 -7.94 59.65 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.208 0.447 . . . . 25.0 112.208 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 98.4 mt -82.98 4.03 27.63 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.925 -0.58 . . . . 25.0 112.527 -174.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -98.8 15.25 26.04 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.055 0.455 . . . . 25.0 111.337 -176.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -81.73 154.42 26.03 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.63 -0.713 . . . . 25.0 111.047 -177.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -83.44 -37.17 23.55 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.865 -175.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 -66.8 -22.09 66.03 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.077 -0.965 . . . . 25.0 111.953 176.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.519 ' HG3' HG23 ' A' ' 629' ' ' VAL . 26.2 tpp -79.19 -40.68 30.2 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.23 0.612 . . . . 25.0 111.399 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -54.8 -21.13 10.2 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 112.613 0.597 . . . . 25.0 112.613 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -79.99 -28.51 39.47 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.51 0.324 . . . . 25.0 111.467 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 65.1 tp -86.04 -42.27 14.1 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.004 0.522 . . . . 25.0 110.203 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.519 HG23 ' HG3' ' A' ' 625' ' ' MET . 54.5 t -57.43 -29.44 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.193 0.597 . . . . 25.0 110.784 174.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -78.0 -18.71 55.59 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.874 -0.603 . . . . 25.0 111.53 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.456 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 15.5 t80 -76.54 -40.77 48.88 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.531 171.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.499 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -84.2 -21.73 31.16 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 123.208 0.318 . . . . 25.0 111.788 -176.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.483 ' HD2' HG12 ' A' ' 629' ' ' VAL . 46.3 mttt -70.88 -24.42 62.49 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.913 0.387 . . . . 25.0 111.618 175.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -85.31 -33.73 22.03 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.344 -0.843 . . . . 25.0 111.817 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.602 ' O ' ' HG3' ' A' ' 639' ' ' MET . 96.1 t -75.86 -31.96 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 112.423 0.527 . . . . 25.0 112.423 -173.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -70.13 -28.91 65.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.499 0.32 . . . . 25.0 111.464 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -82.06 -22.05 59.96 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 116.315 -0.402 . . . . 25.0 113.281 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -84.92 -18.86 33.36 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.726 0.411 . . . . 25.0 110.496 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.801 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 2.9 mtm -69.76 -32.86 71.62 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.427 0.691 . . . . 25.0 112.694 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -78.47 -25.18 45.74 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.092 0.245 . . . . 25.0 111.319 -176.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -88.35 -22.69 23.68 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.25 -0.432 . . . . 25.0 111.502 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 p -96.15 -30.05 13.73 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.252 -0.431 . . . . 25.0 111.973 -177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 643' ' ' ALA . . . . . 0.403 ' O ' ' CH2' ' A' ' 591' ' ' TRP . . . -99.98 151.81 20.91 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.866 0.321 . . . . 25.0 111.866 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -121.0 -13.5 8.58 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.726 -0.67 . . . . 25.0 110.974 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 94.3 p -131.57 173.0 11.56 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.534 -0.303 . . . . 25.0 111.115 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.519 ' HG3' ' CE1' ' A' ' 650' ' ' TYR . 16.6 ttt-85 -75.23 -32.47 61.15 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.804 0.441 . . . . 25.0 111.673 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -80.38 -21.84 41.91 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 111.97 0.359 . . . . 25.0 111.97 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -86.6 -42.73 13.22 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 110.128 -0.323 . . . . 25.0 110.128 175.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -57.3 -51.42 69.44 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.252 0.621 . . . . 25.0 111.726 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.519 ' CE1' ' HG3' ' A' ' 646' ' ' ARG . 35.8 m-85 -75.74 -17.32 59.95 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.649 0.981 . . . . 25.0 113.649 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -84.85 -36.61 21.46 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 111.728 0.27 . . . . 25.0 111.728 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 43.8 mt -57.7 -39.12 76.47 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.603 0.761 . . . . 25.0 112.393 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.801 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -73.67 -34.83 65.08 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.635 -0.711 . . . . 25.0 112.277 174.275 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -75.3 -27.68 59.42 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -74.91 -30.84 61.39 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -71.09 -29.52 65.4 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 171.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 1.8 mt -69.56 -30.55 45.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.168 -0.924 . . . . 25.0 110.662 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -85.19 -34.28 22.1 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.231 -0.441 . . . . 25.0 111.275 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -75.11 -33.95 61.65 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 -177.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 80.9 mt -72.14 -32.75 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -71.34 -20.07 62.22 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.549 -0.751 . . . . 25.0 112.379 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -74.37 -38.47 63.17 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.16 0.429 . . . . 25.0 112.16 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -74.06 -44.1 55.43 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.189 0.596 . . . . 25.0 111.403 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.23 -19.2 61.75 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.849 -0.614 . . . . 25.0 112.16 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.89 -21.52 61.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 122.769 0.427 . . . . 25.0 110.992 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -75.29 -23.81 57.43 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.016 175.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -86.42 -20.01 28.82 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.985 -0.552 . . . . 25.0 110.882 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -87.05 -19.93 27.9 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.991 -0.55 . . . . 25.0 111.286 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -89.82 -8.93 50.93 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.427 0.291 . . . . 25.0 111.727 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 78.3 p -93.67 -30.63 14.82 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.399 -0.364 . . . . 25.0 111.788 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -87.52 -67.22 0.84 Allowed 'General case' 0 C--N 1.342 0.254 0 CA-C-O 121.065 0.46 . . . . 25.0 111.749 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 68.8 mt . . . . . 0 C--O 1.249 1.075 0 CA-C-O 117.931 -1.033 . . . . 25.0 111.641 -179.685 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.495 -0.242 . . . . 25.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 72.3 m -108.22 128.86 24.9 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-O 119.524 -0.274 . . . . 25.0 110.661 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -72.03 138.79 31.66 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.435 2.09 . . . . 25.0 113.419 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 141.91 149.68 5.23 Favored Glycine 0 C--N 1.336 0.583 0 CA-C-N 115.808 -0.633 . . . . 25.0 112.574 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -102.39 142.28 24.25 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-O 119.002 -0.523 . . . . 25.0 110.903 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -57.01 -65.05 0.11 Allowed 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.483 2.122 . . . . 25.0 113.957 -173.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 49.8 t30 59.07 123.89 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.181 0.993 . . . . 25.0 112.515 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 153.06 75.01 0.01 OUTLIER Glycine 0 C--N 1.338 0.648 0 CA-C-N 115.756 -0.656 . . . . 25.0 112.706 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 95.8 mt -124.61 17.3 8.82 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 120.842 0.353 . . . . 25.0 111.031 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 91.2 mt -76.95 18.28 0.37 Allowed 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 115.95 -0.568 . . . . 25.0 111.77 -172.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 82.5 p -136.51 -46.94 0.62 Allowed 'General case' 0 C--N 1.345 0.373 0 CA-C-N 116.448 -0.342 . . . . 25.0 111.578 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 98.3 21.68 16.81 Favored Glycine 0 C--N 1.344 0.981 0 O-C-N 123.423 0.452 . . . . 25.0 113.605 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -127.5 1.38 6.24 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.937 0.398 . . . . 25.0 111.143 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -94.53 -4.08 48.66 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.624 -0.716 . . . . 25.0 112.272 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -83.57 -9.24 59.06 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.047 -0.979 . . . . 25.0 111.658 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 534' ' ' PHE . . . . . 0.507 ' CD2' ' HB2' ' B' ' 538' ' ' ALA . 0.2 OUTLIER -82.88 -11.71 57.98 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.238 0.459 . . . . 25.0 112.238 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 97.0 p -73.27 -26.17 60.99 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.279 -0.418 . . . . 25.0 111.285 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 81.0 p -90.05 -38.89 13.27 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.878 -0.601 . . . . 25.0 112.014 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.6 mt -86.04 -40.02 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 112.025 0.38 . . . . 25.0 112.025 -174.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 538' ' ' ALA . . . . . 0.507 ' HB2' ' CD2' ' B' ' 534' ' ' PHE . . . -79.2 -15.79 57.52 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.559 0.577 . . . . 25.0 112.559 -176.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -92.09 -25.68 18.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.447 -0.797 . . . . 25.0 109.633 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 92.9 mtp -75.75 -21.48 57.42 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.81 -0.632 . . . . 25.0 110.549 169.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -79.99 -54.87 5.39 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.175 -0.92 . . . . 25.0 111.405 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.11 -18.79 60.76 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 -173.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.9 p -78.85 -23.18 45.14 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.383 0.427 . . . . 25.0 111.313 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -81.97 -31.91 30.95 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.293 -0.412 . . . . 25.0 111.18 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 4.4 mt -84.05 -14.18 51.2 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.823 -0.626 . . . . 25.0 111.333 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 47.6 tp -74.92 -38.54 61.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.751 -0.659 . . . . 25.0 111.245 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.5 p -76.05 -16.46 59.93 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.696 -0.683 . . . . 25.0 112.004 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -78.85 -11.23 59.99 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 66.1 mt -98.07 -32.63 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 116.008 -0.542 . . . . 25.0 110.523 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 78.4 p -95.48 -40.39 9.5 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.247 0.342 . . . . 25.0 111.549 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.765 -0.636 . . . . 25.0 110.595 -179.801 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.489 -0.245 . . . . 25.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 73.5 t -90.33 137.86 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 109.861 -0.422 . . . . 25.0 109.861 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -92.12 122.79 34.95 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.056 -0.52 . . . . 25.0 111.161 -175.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.741 ' HD2' ' HE1' ' A' ' 591' ' ' TRP . 84.5 mttt -139.52 156.95 46.6 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.447 -0.797 . . . . 25.0 111.048 -176.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -79.74 -18.61 72.57 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 115.436 -0.802 . . . . 25.0 114.165 -176.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.741 ' HE1' ' HD2' ' A' ' 589' ' ' LYS . 12.4 p-90 -84.21 -33.28 24.17 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.988 0.394 . . . . 25.0 111.48 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -63.97 -41.3 97.58 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.503 0.721 . . . . 25.0 111.984 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -84.61 -10.54 57.27 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 123.182 0.301 . . . . 25.0 111.703 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -95.06 -26.18 16.16 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.699 -0.682 . . . . 25.0 111.445 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.586 HG13 HD23 ' A' ' 599' ' ' LEU . 25.4 t -82.47 131.86 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 120.858 0.361 . . . . 25.0 110.367 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 81.8 p -104.4 176.57 5.11 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.404 -0.817 . . . . 25.0 111.568 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -78.14 -17.69 56.56 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.519 -0.764 . . . . 25.0 110.014 170.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -81.64 -24.09 36.56 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.703 -0.681 . . . . 25.0 110.915 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.586 HD23 HG13 ' A' ' 595' ' ' VAL . 15.5 tp -67.38 -49.79 62.42 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.05 0.218 . . . . 25.0 111.272 173.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -59.83 -22.15 61.86 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -175.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 95.2 p -84.12 -28.52 27.43 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.162 -0.472 . . . . 25.0 111.155 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -84.35 -20.52 31.85 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.068 -0.515 . . . . 25.0 110.834 178.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 42.6 mt -76.56 -35.78 58.01 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.446 0.699 . . . . 25.0 109.867 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 53.5 t -71.94 -39.2 66.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 114.783 -1.098 . . . . 25.0 110.698 172.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -71.96 -17.53 62.06 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.355 0.409 . . . . 25.0 110.621 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -85.27 -22.48 28.58 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.518 -0.764 . . . . 25.0 109.226 175.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 13.1 mt -86.88 -40.66 14.66 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 114.278 -1.328 . . . . 25.0 111.626 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.2 t -71.71 -25.59 24.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.361 0.665 . . . . 25.0 111.512 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -81.12 -26.71 35.94 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 120.615 0.245 . . . . 25.0 111.65 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -78.31 -35.54 47.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.857 -0.611 . . . . 25.0 111.596 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.459 HG12 HG21 ' A' ' 660' ' ' ILE . 91.7 mt -77.76 -49.57 21.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 109.827 -0.434 . . . . 25.0 109.827 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.517 ' CZ ' ' HB3' ' B' ' 545' ' ' LEU . 57.4 t80 -140.36 103.3 6.6 Favored Pre-proline 0 CA--C 1.551 0.989 0 O-C-N 123.233 0.333 . . . . 25.0 110.287 172.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -75.94 136.02 18.07 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.434 2.089 . . . . 25.0 112.505 174.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.8 t -148.94 126.14 5.53 Favored Pre-proline 0 CA--C 1.544 0.748 0 N-CA-C 112.119 0.414 . . . . 25.0 112.119 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -49.9 -53.87 6.37 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 124.109 3.206 . . . . 25.0 114.379 172.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -80.38 117.31 67.11 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.492 -0.776 . . . . 25.0 112.33 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -65.47 -10.32 25.77 Favored 'Trans proline' 0 C--N 1.376 1.981 0 C-N-CA 122.786 2.324 . . . . 25.0 113.946 172.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -74.78 -8.2 55.72 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.732 0.642 . . . . 25.0 112.732 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.42 -12.11 59.04 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 90.8 mt -85.15 2.85 41.79 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.393 0.516 . . . . 25.0 112.393 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -103.33 14.36 31.7 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.07 0.462 . . . . 25.0 110.655 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -87.76 153.63 21.2 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.755 -177.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.3 mmp_? -79.2 -37.08 39.1 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 115.429 -0.805 . . . . 25.0 110.882 -175.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -73.04 -21.46 60.8 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.784 -1.098 . . . . 25.0 112.378 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -86.67 -37.11 18.3 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.506 0.322 . . . . 25.0 111.211 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -53.73 -19.86 4.74 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.629 0.974 . . . . 25.0 113.629 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -68.82 -39.69 79.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.768 0.427 . . . . 25.0 111.723 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 79.0 mt -86.44 -31.06 21.6 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.513 0.197 . . . . 25.0 110.696 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 67.9 t -54.52 -34.92 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 123.21 0.604 . . . . 25.0 110.032 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -80.23 -18.48 49.34 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.756 -1.111 . . . . 25.0 111.545 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -73.88 -40.18 63.39 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.075 0.55 . . . . 25.0 110.741 172.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.68 -28.04 26.66 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.44 -0.345 . . . . 25.0 111.903 -177.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -61.54 -32.0 72.05 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.313 0.645 . . . . 25.0 112.252 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -87.07 -27.56 23.08 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.092 1.145 . . . . 25.0 114.092 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.71 -54.85 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 112.916 0.71 . . . . 25.0 112.916 -170.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -58.62 -20.62 49.04 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 113.453 0.909 . . . . 25.0 113.453 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.36 -23.41 78.1 Favored Glycine 0 C--N 1.345 1.035 0 C-N-CA 121.701 -0.285 . . . . 25.0 112.828 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -87.28 -19.44 28.26 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.876 0.47 . . . . 25.0 111.312 175.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.465 ' SD ' ' HB3' ' A' ' 653' ' ' LEU . 4.9 mtm -72.41 -20.77 61.37 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.898 0.479 . . . . 25.0 112.033 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -75.3 -34.45 61.29 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.959 -0.564 . . . . 25.0 111.371 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -88.82 -25.26 22.3 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.182 -0.463 . . . . 25.0 112.115 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 m -86.63 -45.93 10.56 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.905 0.335 . . . . 25.0 111.905 -175.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -84.74 147.28 26.96 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.276 0.36 . . . . 25.0 111.896 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -107.82 -13.12 15.07 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.723 -0.671 . . . . 25.0 111.201 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.3 p -131.72 159.25 38.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.494 -0.321 . . . . 25.0 110.672 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -75.56 -25.18 56.88 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.894 -0.593 . . . . 25.0 111.839 -175.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -81.31 -23.28 37.96 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.29 0.368 . . . . 25.0 111.326 175.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -86.17 -44.03 12.54 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.201 -0.454 . . . . 25.0 109.993 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -53.9 -50.7 65.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.712 0.805 . . . . 25.0 111.487 178.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.735 ' HA ' HD23 ' A' ' 653' ' ' LEU . 20.3 m-30 -66.17 -16.42 63.96 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.194 0.813 . . . . 25.0 113.194 174.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -84.82 -29.34 25.44 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.398 0.518 . . . . 25.0 112.398 -175.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.45 -28.51 67.94 Favored 'General case' 0 C--N 1.349 0.566 0 N-CA-C 112.008 0.373 . . . . 25.0 112.008 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.735 HD23 ' HA ' ' A' ' 650' ' ' TYR . 0.2 OUTLIER -87.71 -29.9 20.75 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.21 0.319 . . . . 25.0 111.746 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.487 ' N ' ' HG ' ' A' ' 653' ' ' LEU . . . -76.2 -24.91 54.7 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.252 0.345 . . . . 25.0 111.699 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -79.02 -31.72 44.79 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -68.78 -29.72 68.15 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 109.07 -0.715 . . . . 25.0 109.07 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 4.3 mt -69.86 -39.0 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-N 115.405 -0.816 . . . . 25.0 111.186 -176.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -82.99 -29.0 29.31 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.915 0.388 . . . . 25.0 110.356 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -76.36 -34.17 58.94 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.216 -0.902 . . . . 25.0 112.41 -177.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.459 HG21 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -75.07 -30.21 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 N-CA-C 109.905 -0.406 . . . . 25.0 109.905 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -63.08 -19.73 64.69 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.334 -0.848 . . . . 25.0 112.656 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -77.89 -43.11 31.09 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.806 0.442 . . . . 25.0 111.459 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -63.56 -42.64 98.33 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.899 0.88 . . . . 25.0 112.051 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.45 -18.75 65.54 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.996 -0.547 . . . . 25.0 112.435 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -86.35 -17.65 33.95 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 122.247 0.219 . . . . 25.0 111.425 175.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -74.43 -24.17 59.04 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.74 0.416 . . . . 25.0 111.42 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.535 ' HE2' ' OD2' ' B' ' 539' ' ' ASP . 40.0 mmtm -84.99 -17.39 37.75 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.317 175.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -80.58 -24.51 39.13 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.916 -0.584 . . . . 25.0 111.48 -178.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -91.74 -46.44 7.89 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 123.261 0.351 . . . . 25.0 111.568 -177.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 85.7 p -100.26 -37.61 8.83 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.255 0.465 . . . . 25.0 112.255 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 69.46 -5.22 1.18 Allowed 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.457 1.103 . . . . 25.0 112.805 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 C--O 1.25 1.084 0 CA-C-O 117.958 -1.02 . . . . 25.0 110.622 178.266 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.545 -0.222 . . . . 25.0 112.545 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 18.1 t -104.42 131.06 22.24 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-O 119.521 -0.276 . . . . 25.0 111.064 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.98 135.38 25.26 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.421 2.08 . . . . 25.0 113.408 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -116.98 47.34 1.04 Allowed Glycine 0 C--N 1.337 0.633 0 CA-C-N 115.788 -0.642 . . . . 25.0 112.651 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 60.43 118.78 0.02 OUTLIER Pre-proline 0 N--CA 1.485 1.305 0 C-N-CA 124.164 0.985 . . . . 25.0 112.187 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.27 142.1 29.87 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.153 1.902 . . . . 25.0 113.158 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 525' ' ' ASN . . . . . 0.438 ' HA ' ' CD1' ' B' ' 528' ' ' LEU . 72.0 m-80 -118.23 140.23 50.11 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.998 -0.546 . . . . 25.0 111.48 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 123.99 -47.99 0.98 Allowed Glycine 0 C--N 1.339 0.719 0 CA-C-N 115.977 -0.556 . . . . 25.0 113.059 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 57.8 mt -116.19 37.15 3.78 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.121 0.486 . . . . 25.0 111.636 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 528' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' B' ' 525' ' ' ASN . 2.2 mt -80.46 2.24 25.99 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.046 -0.524 . . . . 25.0 111.77 -176.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 81.2 p -128.73 17.77 6.28 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.286 -0.415 . . . . 25.0 111.539 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -103.75 -77.7 1.2 Allowed Glycine 0 C--N 1.341 0.828 0 CA-C-N 116.227 -0.442 . . . . 25.0 112.921 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -135.96 34.09 2.87 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.531 0.681 . . . . 25.0 110.16 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 532' ' ' GLU . . . . . 0.47 ' HA ' ' OG ' ' B' ' 535' ' ' SER . 70.8 mm-40 -97.85 -3.22 39.16 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.188 -0.914 . . . . 25.0 113.037 -174.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -75.96 -42.37 48.68 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.553 -0.749 . . . . 25.0 111.468 -176.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 534' ' ' PHE . . . . . 0.501 ' O ' ' HB3' ' B' ' 538' ' ' ALA . 0.3 OUTLIER -88.94 -12.87 40.38 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 123.226 0.329 . . . . 25.0 111.476 178.287 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 535' ' ' SER . . . . . 0.47 ' OG ' ' HA ' ' B' ' 532' ' ' GLU . 84.7 p -79.75 -15.94 56.55 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.04 -0.527 . . . . 25.0 111.145 177.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 55.3 m -90.74 -49.71 6.31 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.997 -0.547 . . . . 25.0 111.444 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.4 mt -86.97 -49.52 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 123.219 0.325 . . . . 25.0 111.817 -174.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 538' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' B' ' 534' ' ' PHE . . . -74.75 -10.24 59.33 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -175.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 539' ' ' ASP . . . . . 0.535 ' OD2' ' HE2' ' A' ' 667' ' ' LYS . 97.9 m-20 -97.25 -14.17 21.55 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.288 -0.869 . . . . 25.0 110.14 174.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 80.6 mtp -89.07 -28.51 20.07 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.099 -0.501 . . . . 25.0 111.276 172.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -93.11 -22.32 19.16 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.808 -0.633 . . . . 25.0 112.628 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 542' ' ' PHE . . . . . 0.486 ' HB2' ' O ' ' B' ' 538' ' ' ALA . 44.8 t80 -72.4 -30.17 64.41 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 111.496 0.184 . . . . 25.0 111.496 -176.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 93.6 p -81.92 -28.84 32.6 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.22 -0.445 . . . . 25.0 111.021 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 544' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -79.04 -28.29 43.21 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.795 -0.639 . . . . 25.0 111.428 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 612' ' ' PHE . 76.6 mt -83.45 -20.13 34.61 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.242 0.617 . . . . 25.0 110.927 173.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' B' ' 546' ' ' LEU . 7.4 mt -76.6 -30.96 57.18 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.597 -0.729 . . . . 25.0 110.739 177.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.6 p -76.96 -16.3 59.39 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.718 -0.674 . . . . 25.0 112.065 175.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 548' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 90.7 mm-40 -76.18 -16.35 59.87 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.492 0.552 . . . . 25.0 112.492 -177.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 38.3 pt -104.69 -17.42 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-N 116.174 -0.467 . . . . 25.0 112.104 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 87.1 p -100.83 -29.87 12.01 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.406 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 117.993 -1.003 . . . . 25.0 112.032 -179.346 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.562 -0.215 . . . . 25.0 112.562 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 91.9 t -90.32 133.84 31.0 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-O 120.823 0.344 . . . . 25.0 111.189 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -92.27 129.96 38.08 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.623 -0.717 . . . . 25.0 111.222 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -119.14 124.78 47.68 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.958 -0.565 . . . . 25.0 111.332 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -82.29 -27.53 43.81 Favored Glycine 0 C--N 1.34 0.75 0 CA-C-N 115.499 -0.773 . . . . 25.0 112.986 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.506 ' HZ3' ' CD1' ' A' ' 640' ' ' TYR . 68.8 p-90 -84.39 -33.84 23.69 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.258 0.623 . . . . 25.0 112.271 -177.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -68.32 -35.46 77.83 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.54 0.336 . . . . 25.0 111.62 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -86.1 -12.37 50.22 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.236 0.335 . . . . 25.0 111.462 177.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -97.49 -26.6 14.77 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.763 -0.653 . . . . 25.0 111.36 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.67 ' HA ' HD12 ' A' ' 599' ' ' LEU . 74.3 t -87.6 127.3 40.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 109.722 -0.473 . . . . 25.0 109.722 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 42.9 p -108.1 -179.99 4.05 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.516 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -76.76 -18.59 58.37 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.881 -0.599 . . . . 25.0 110.215 170.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -85.13 -31.42 23.31 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.84 -0.618 . . . . 25.0 111.227 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 595' ' ' VAL . 31.8 mt -65.4 -47.22 77.07 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 111.677 0.251 . . . . 25.0 111.677 175.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -57.6 -32.48 67.24 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.803 0.441 . . . . 25.0 111.733 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.4 p -73.43 -27.8 61.63 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.6 -0.727 . . . . 25.0 111.386 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -86.36 -21.23 27.33 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.864 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.2 -36.84 54.57 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.119 0.568 . . . . 25.0 109.994 175.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 48.3 t -71.27 -37.24 65.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.281 1.032 . . . . 25.0 110.465 172.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -73.71 -17.75 61.08 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 123.302 0.376 . . . . 25.0 110.592 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -85.5 -22.32 28.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.504 -0.771 . . . . 25.0 109.244 175.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.459 HD23 HG13 ' A' ' 657' ' ' ILE . 9.4 mt -86.13 -39.26 16.9 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.235 -1.348 . . . . 25.0 111.378 -178.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.4 t -73.83 -26.4 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 122.975 0.51 . . . . 25.0 111.381 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -81.76 -26.75 34.22 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.533 0.206 . . . . 25.0 111.396 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -80.47 -32.47 37.12 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.863 -0.608 . . . . 25.0 111.679 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.45 HG12 HG21 ' A' ' 660' ' ' ILE . 98.8 mt -77.68 -53.36 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 109.848 -0.427 . . . . 25.0 109.848 178.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.409 ' CG ' HD13 ' B' ' 545' ' ' LEU . 58.6 t80 -138.19 106.08 7.95 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 110.14 -0.318 . . . . 25.0 110.14 173.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -66.46 136.29 42.53 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 122.422 2.081 . . . . 25.0 112.195 173.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 44.7 p -105.54 114.45 63.11 Favored Pre-proline 0 C--O 1.236 0.385 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 -175.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -60.73 -51.03 5.43 Favored 'Trans proline' 0 C--N 1.369 1.656 0 C-N-CA 123.349 2.7 . . . . 25.0 112.521 166.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 36.4 t0 -104.12 122.98 42.32 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 114.763 -1.108 . . . . 25.0 111.273 178.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 55.4 Cg_endo -61.34 -10.11 14.9 Favored 'Trans proline' 0 C--N 1.377 2.065 0 C-N-CA 122.956 2.437 . . . . 25.0 114.108 174.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.51 -8.27 56.85 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.52 -8.18 59.69 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 88.7 mt -82.17 -9.24 59.58 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.142 -0.481 . . . . 25.0 112.087 -176.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -105.53 14.47 28.52 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 121.042 0.449 . . . . 25.0 110.226 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -85.9 163.84 17.82 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.894 -0.593 . . . . 25.0 111.046 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -78.76 -52.19 8.72 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.987 -0.551 . . . . 25.0 111.6 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -62.99 -27.96 69.77 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 54.8 tpp -76.0 -38.56 57.22 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.765 0.426 . . . . 25.0 110.731 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.03 -20.36 65.86 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.356 0.663 . . . . 25.0 112.211 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -70.65 -42.02 71.36 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 122.764 0.426 . . . . 25.0 111.988 -176.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 95.7 mt -86.32 -21.85 27.06 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.945 0.153 . . . . 25.0 110.875 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.427 HG12 ' HD2' ' A' ' 633' ' ' LYS . 3.2 t -55.01 -32.88 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 166.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -79.94 -18.83 49.45 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.649 -1.16 . . . . 25.0 111.63 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.508 ' O ' ' HB3' ' A' ' 634' ' ' LYS . 38.4 t80 -75.09 -42.23 57.15 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.43 170.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.47 -24.58 29.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.364 -0.38 . . . . 25.0 111.942 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.427 ' HD2' HG12 ' A' ' 629' ' ' VAL . 62.1 mttt -71.39 -19.04 62.32 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.436 0.636 . . . . 25.0 110.164 172.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 631' ' ' TYR . 15.4 ttpt -79.05 -47.63 15.85 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 114.405 -1.27 . . . . 25.0 111.952 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 29.7 m -72.99 -37.49 53.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 114.312 1.227 . . . . 25.0 114.312 -159.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -53.36 -31.76 46.12 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -70.42 -19.73 76.37 Favored Glycine 0 C--N 1.347 1.155 0 O-C-N 123.379 0.424 . . . . 25.0 113.31 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -86.19 -19.39 30.12 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 122.807 0.443 . . . . 25.0 110.592 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.626 ' HG2' ' HB2' ' A' ' 652' ' ' LEU . 15.8 mtt -80.54 -22.09 41.15 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.16 -0.473 . . . . 25.0 111.992 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.506 ' CD1' ' HZ3' ' A' ' 591' ' ' TRP . 44.2 t80 -77.87 -29.3 50.26 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.091 -0.504 . . . . 25.0 111.536 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -89.05 -25.69 21.81 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.067 -0.515 . . . . 25.0 112.076 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.2 m -91.62 -46.0 8.17 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.449 0.537 . . . . 25.0 112.449 -174.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.48 152.1 27.5 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 -177.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -115.9 -12.84 11.35 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.637 -0.71 . . . . 25.0 112.123 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 55.4 p -132.18 -178.81 5.07 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 123.054 0.221 . . . . 25.0 111.288 -177.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -81.26 -36.4 29.97 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 122.492 0.317 . . . . 25.0 111.338 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -78.64 -21.59 48.16 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.358 0.411 . . . . 25.0 111.356 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -86.2 -40.01 16.04 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.293 0.37 . . . . 25.0 110.246 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -56.44 -52.61 64.02 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.27 0.628 . . . . 25.0 111.534 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.53 ' HA ' HD23 ' A' ' 653' ' ' LEU . 19.7 m-85 -67.22 -15.7 63.85 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 112.772 0.656 . . . . 25.0 112.772 177.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -79.63 -36.01 38.54 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.343 0.498 . . . . 25.0 112.343 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.626 ' HB2' ' HG2' ' A' ' 639' ' ' MET . 80.6 mt -66.58 -26.15 66.97 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 177.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.551 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -84.6 -30.82 24.66 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.636 0.374 . . . . 25.0 111.634 178.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.86 -32.98 57.89 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 122.64 0.376 . . . . 25.0 111.82 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -74.73 -25.93 59.45 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 111.832 0.308 . . . . 25.0 111.832 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 652' ' ' LEU . 62.4 mttp -73.02 -26.25 61.25 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-O 121.214 0.531 . . . . 25.0 109.928 171.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.459 HG13 HD23 ' A' ' 607' ' ' LEU . 5.0 mt -74.42 -28.81 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 114.746 -1.115 . . . . 25.0 110.744 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -85.24 -33.73 22.14 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.609 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -71.5 -31.48 67.14 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.45 HG21 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -76.79 -31.45 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 CA-C-N 116.172 -0.467 . . . . 25.0 109.893 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -66.83 -20.1 65.87 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.359 -0.837 . . . . 25.0 112.286 173.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 662' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 665' ' ' GLU . 59.7 tttm -77.77 -39.55 43.73 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.276 0.472 . . . . 25.0 112.276 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -71.69 -37.39 70.71 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.704 0.402 . . . . 25.0 112.041 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.66 -19.77 65.91 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.943 -0.571 . . . . 25.0 112.482 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 665' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' A' ' 662' ' ' LYS . 64.9 mt-10 -68.52 -17.89 64.26 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.749 0.42 . . . . 25.0 112.078 178.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -74.16 -26.73 60.47 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.7 0.4 . . . . 25.0 111.252 174.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 667' ' ' LYS . 1.0 OUTLIER -86.41 -24.24 25.8 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.968 -0.56 . . . . 25.0 111.333 176.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -84.29 -27.44 27.84 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 116.099 -0.5 . . . . 25.0 111.592 -176.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -91.33 -13.11 33.14 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.212 0.32 . . . . 25.0 111.812 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 78.8 p -98.61 -23.17 15.59 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.601 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -97.64 -29.63 13.31 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.429 -0.351 . . . . 25.0 111.285 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 80.9 mt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.015 -0.993 . . . . 25.0 110.94 -178.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.501 -0.24 . . . . 25.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 11.2 t 57.4 94.88 0.05 OUTLIER Pre-proline 0 N--CA 1.484 1.258 0 C-N-CA 124.013 0.925 . . . . 25.0 111.983 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.92 -29.44 49.56 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.791 2.328 . . . . 25.0 113.377 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 144.36 131.04 2.38 Favored Glycine 0 C--N 1.34 0.782 0 CA-C-N 116.181 -0.463 . . . . 25.0 112.266 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -117.39 83.84 17.18 Favored Pre-proline 0 CA--C 1.551 1.009 0 N-CA-C 110.449 -0.204 . . . . 25.0 110.449 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -77.35 -15.04 16.09 Favored 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 122.791 2.327 . . . . 25.0 113.317 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 57.6 t30 63.95 -79.55 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.305 1.042 . . . . 25.0 111.309 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 74.76 124.79 0.14 Allowed Glycine 0 C--N 1.346 1.124 0 C-N-CA 121.717 -0.277 . . . . 25.0 113.25 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 92.8 mt -99.52 22.08 11.29 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 112.112 0.412 . . . . 25.0 112.112 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 96.9 mt -76.27 -4.11 40.2 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.436 0.636 . . . . 25.0 109.747 174.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 47.2 t -161.2 99.36 1.19 Allowed 'General case' 0 C--O 1.238 0.451 0 CA-C-N 114.863 -1.062 . . . . 25.0 109.354 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -104.95 -93.75 2.32 Favored Glycine 0 C--N 1.338 0.683 0 C-N-CA 121.074 -0.584 . . . . 25.0 113.266 -175.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -133.84 -3.95 2.86 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.672 0.272 . . . . 25.0 111.37 -176.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -113.34 -5.15 13.58 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.075 0.464 . . . . 25.0 111.873 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -92.06 -23.04 19.61 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.034 -0.985 . . . . 25.0 111.766 -176.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -80.35 -12.53 59.58 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 120.7 0.285 . . . . 25.0 111.587 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 99.4 p -69.34 -16.91 63.64 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.728 -0.669 . . . . 25.0 111.845 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 78.9 p -89.33 -24.7 21.94 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.92 -0.582 . . . . 25.0 110.885 175.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 94.4 mt -86.4 -26.37 6.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.262 -0.881 . . . . 25.0 111.195 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.79 -17.47 47.46 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.4 0.889 . . . . 25.0 113.4 -173.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -93.84 -17.68 22.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.379 174.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 87.6 mtp -85.23 -33.08 22.29 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.827 -1.079 . . . . 25.0 110.137 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -86.07 -20.16 29.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.349 -0.841 . . . . 25.0 111.885 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -74.59 -29.92 61.5 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.578 0.228 . . . . 25.0 110.959 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.8 p -82.11 -23.39 35.72 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.463 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 544' ' ' ALA . . . . . 0.506 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.21 -23.71 30.39 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.224 -0.444 . . . . 25.0 112.058 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.409 HD13 ' CG ' ' A' ' 612' ' ' PHE . 50.3 mt -78.87 -18.49 53.84 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.879 0.471 . . . . 25.0 112.163 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 90.5 mt -85.75 -28.9 24.28 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.907 0.384 . . . . 25.0 110.608 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.9 p -75.8 -16.17 60.14 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.191 -0.913 . . . . 25.0 112.143 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 548' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 71.9 mm-40 -76.69 -25.79 54.02 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.479 0.548 . . . . 25.0 112.479 -178.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 78.8 mt -99.69 -27.66 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 115.354 -0.839 . . . . 25.0 112.385 -178.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 70.0 p -95.81 -33.34 12.29 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.241 0.338 . . . . 25.0 111.81 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 N--CA 1.483 1.195 0 C-N-CA 123.959 0.904 . . . . 25.0 111.88 -179.74 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 112.574 -0.211 . . . . 25.0 112.574 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 59.6 t -90.36 134.62 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 110.21 -0.292 . . . . 25.0 110.21 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -92.0 133.12 36.01 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.859 -0.61 . . . . 25.0 111.408 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.474 ' HB2' ' HD2' ' A' ' 592' ' ' HIS . 99.1 mttt -115.27 124.65 51.88 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.888 -0.596 . . . . 25.0 111.54 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -82.83 -27.44 41.75 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 115.493 -0.776 . . . . 25.0 112.885 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -84.55 -27.86 27.04 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.167 0.587 . . . . 25.0 112.522 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 592' ' ' HIS . . . . . 0.474 ' HD2' ' HB2' ' A' ' 589' ' ' LYS . 0.0 OUTLIER -73.47 -13.56 61.08 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.103 0.252 . . . . 25.0 111.198 175.443 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -81.82 -32.5 31.21 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.064 0.394 . . . . 25.0 112.064 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -99.16 -23.12 15.35 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.475 0.546 . . . . 25.0 112.475 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 76.9 t -80.3 125.04 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 109.557 -0.535 . . . . 25.0 109.557 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 73.3 p -112.51 -176.0 2.81 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.347 -0.842 . . . . 25.0 111.463 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -76.08 -17.87 59.44 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.869 -0.605 . . . . 25.0 110.065 168.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.68 -35.07 27.15 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 115.86 -0.609 . . . . 25.0 111.928 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.603 HD21 ' OH ' ' A' ' 650' ' ' TYR . 26.8 tp -64.76 -47.24 78.89 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 111.559 0.207 . . . . 25.0 111.559 174.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -59.48 -23.61 62.9 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.446 0.536 . . . . 25.0 112.446 -176.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 94.9 p -83.84 -27.83 28.45 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.135 -0.484 . . . . 25.0 111.024 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -85.31 -22.45 28.52 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 122.767 0.427 . . . . 25.0 110.663 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 24.7 mt -73.96 -34.8 64.39 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.646 -0.706 . . . . 25.0 109.669 173.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 19.9 t -76.39 -34.24 24.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-N 114.7 -1.137 . . . . 25.0 110.794 172.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -70.94 -17.11 62.69 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.925 0.393 . . . . 25.0 110.297 174.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -82.93 -24.1 33.2 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.192 -0.913 . . . . 25.0 109.151 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.463 HD11 HD22 ' A' ' 653' ' ' LEU . 19.8 mt -86.86 -47.59 8.9 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.142 -1.39 . . . . 25.0 111.46 -176.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 63.7 t -65.25 -24.06 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.759 0.824 . . . . 25.0 111.504 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -84.97 -29.67 24.87 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.476 0.179 . . . . 25.0 111.262 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.5 -23.61 50.26 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.559 174.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 90.0 mt -85.42 -55.59 6.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 116.077 -0.51 . . . . 25.0 109.659 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.506 ' CZ ' ' HB3' ' B' ' 545' ' ' LEU . 81.7 t80 -138.14 102.67 8.2 Favored Pre-proline 0 CA--C 1.55 0.967 0 CA-C-N 116.54 -0.3 . . . . 25.0 110.473 175.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -77.17 135.48 15.28 Favored 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.577 2.185 . . . . 25.0 112.354 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 2.5 t -152.02 127.0 4.71 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -50.92 -51.51 11.04 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 123.953 3.102 . . . . 25.0 114.355 172.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 50.1 t0 -74.66 116.52 54.25 Favored Pre-proline 0 N--CA 1.472 0.648 0 CA-C-N 115.657 -0.702 . . . . 25.0 112.359 -177.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 58.4 Cg_endo -65.67 -10.26 25.83 Favored 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 122.821 2.348 . . . . 25.0 113.766 172.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -73.73 -8.36 55.69 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.706 0.632 . . . . 25.0 112.706 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -82.02 -17.28 47.35 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 122.612 0.365 . . . . 25.0 111.908 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 88.8 mt -82.98 -3.4 57.14 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.19 -0.459 . . . . 25.0 112.078 -177.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -105.15 14.44 29.14 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.043 0.449 . . . . 25.0 110.399 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -84.94 153.49 22.79 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.773 -0.649 . . . . 25.0 110.754 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -78.65 -38.84 38.61 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.453 -0.794 . . . . 25.0 110.86 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -73.8 -21.05 60.29 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 114.939 -1.028 . . . . 25.0 112.267 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -89.54 -36.54 15.29 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.312 0.382 . . . . 25.0 111.257 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -55.52 -20.54 13.33 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.278 0.631 . . . . 25.0 112.644 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.92 -38.56 83.07 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 111.85 0.315 . . . . 25.0 111.85 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 1.6 mt -87.04 -27.83 22.96 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 123.174 0.296 . . . . 25.0 111.151 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 72.1 t -58.25 -39.18 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 170.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -75.24 -18.64 60.06 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.876 -1.056 . . . . 25.0 111.4 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -77.74 -38.03 47.89 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.249 -0.887 . . . . 25.0 110.368 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.25 -21.46 31.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.841 -0.618 . . . . 25.0 111.811 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -60.91 -29.87 69.85 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.919 0.488 . . . . 25.0 112.188 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -85.26 -40.13 16.95 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.791 -0.641 . . . . 25.0 111.613 -175.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.652 ' O ' ' HG2' ' A' ' 639' ' ' MET . 98.0 t -66.98 -26.08 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 116.186 -0.461 . . . . 25.0 112.052 -171.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -68.46 -35.52 77.68 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 122.8 0.44 . . . . 25.0 110.601 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -84.87 -21.96 54.28 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.874 -0.603 . . . . 25.0 113.269 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -77.28 -19.46 56.46 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 122.698 0.399 . . . . 25.0 110.701 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.652 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 39.4 mmt -78.19 -20.75 51.26 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.692 -0.686 . . . . 25.0 111.908 177.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.522 ' CD1' ' C ' ' A' ' 640' ' ' TYR . 0.0 OUTLIER -74.18 -31.87 62.84 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.897 -0.592 . . . . 25.0 111.309 -178.302 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.41 -21.94 24.01 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.262 -0.426 . . . . 25.0 111.77 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 92.7 p -92.79 -30.57 15.42 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.321 0.388 . . . . 25.0 112.022 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -99.24 143.01 29.99 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.207 0.317 . . . . 25.0 111.478 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -110.88 -10.17 14.42 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.889 -0.596 . . . . 25.0 111.867 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 67.6 m -132.26 158.78 40.92 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.361 -0.381 . . . . 25.0 110.628 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -72.01 -25.41 61.81 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.899 0.703 . . . . 25.0 112.899 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 647' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 99.1 m-20 -81.58 -24.33 36.56 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.241 0.338 . . . . 25.0 111.066 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -86.37 -39.21 16.65 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.312 0.383 . . . . 25.0 110.181 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -58.21 -50.73 72.53 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.405 0.682 . . . . 25.0 111.429 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.603 ' OH ' HD21 ' A' ' 599' ' ' LEU . 19.4 m-85 -76.4 -16.12 59.78 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.169 0.803 . . . . 25.0 113.169 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 651' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 86.1 t60 -83.23 -44.17 15.29 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 111.676 0.251 . . . . 25.0 111.676 -176.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.624 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 82.7 mt -54.64 -38.04 66.39 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.493 0.717 . . . . 25.0 112.615 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.463 HD22 HD11 ' A' ' 607' ' ' LEU . 95.0 mt -72.36 -34.74 68.2 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.711 -0.677 . . . . 25.0 111.677 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -72.52 -23.61 61.03 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.308 0.38 . . . . 25.0 110.875 174.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -72.56 -38.18 68.01 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.703 -0.681 . . . . 25.0 111.863 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -67.62 -28.62 67.89 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 173.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 26.3 mt -71.62 -28.4 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 115.286 -0.87 . . . . 25.0 110.79 -176.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -84.47 -37.42 21.37 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.136 -0.484 . . . . 25.0 110.693 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -75.56 -30.37 59.66 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 123.486 0.491 . . . . 25.0 112.156 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 75.3 mt -71.64 -28.98 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 174.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -78.21 -19.58 53.53 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.477 -0.783 . . . . 25.0 112.143 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -80.56 -43.11 21.19 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.556 0.342 . . . . 25.0 111.455 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.91 -43.03 80.17 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 -174.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.58 -22.25 61.5 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 112.104 0.409 . . . . 25.0 112.104 172.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -86.59 -19.16 29.79 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 122.684 0.394 . . . . 25.0 111.055 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -77.11 -25.05 51.75 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 122.648 0.379 . . . . 25.0 111.597 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm -83.8 -17.73 40.09 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.2 -0.454 . . . . 25.0 111.23 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -75.48 -28.95 59.43 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.745 -0.661 . . . . 25.0 111.317 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -91.38 -7.84 49.65 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 111.972 0.36 . . . . 25.0 111.972 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 89.7 p -87.25 -38.67 16.11 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.563 0.579 . . . . 25.0 112.563 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -117.63 -81.39 0.62 Allowed 'General case' 0 CA--C 1.537 0.448 0 O-C-N 123.031 0.207 . . . . 25.0 111.54 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--O 1.251 1.167 0 C-N-CA 122.984 0.514 . . . . 25.0 112.301 178.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.515 -0.234 . . . . 25.0 112.515 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 33.8 t -103.55 133.53 20.24 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-O 119.489 -0.291 . . . . 25.0 111.047 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -71.9 131.03 17.6 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 122.355 2.037 . . . . 25.0 113.434 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 113.45 107.36 2.8 Favored Glycine 0 C--N 1.338 0.661 0 CA-C-N 115.786 -0.643 . . . . 25.0 112.569 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 56.76 93.13 0.05 OUTLIER Pre-proline 0 N--CA 1.485 1.291 0 C-N-CA 123.827 0.851 . . . . 25.0 111.964 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -64.1 -47.17 6.8 Favored 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 122.685 2.257 . . . . 25.0 113.303 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -146.63 -41.14 0.2 Allowed 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.159 0.287 . . . . 25.0 111.686 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 107.43 154.4 19.05 Favored Glycine 0 C--N 1.342 0.901 0 O-C-N 123.427 0.454 . . . . 25.0 112.679 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 95.7 mt -119.65 16.75 12.82 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 120.782 0.325 . . . . 25.0 111.461 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.41 -3.64 15.17 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 121.275 0.559 . . . . 25.0 110.6 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 28.9 t -159.1 108.35 1.91 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.241 -0.89 . . . . 25.0 109.609 -178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -160.92 -65.8 0.02 OUTLIER Glycine 0 C--N 1.336 0.529 0 C-N-CA 121.059 -0.591 . . . . 25.0 113.0 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -130.95 -0.1 4.21 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.769 0.319 . . . . 25.0 110.908 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -95.07 -5.06 45.18 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.024 -0.534 . . . . 25.0 112.417 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -90.92 -28.87 17.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.115 -0.948 . . . . 25.0 111.979 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -89.28 -20.13 24.48 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.904 0.482 . . . . 25.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 96.7 p -73.95 -20.35 60.39 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.881 0.697 . . . . 25.0 112.881 -174.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 81.0 p -89.35 -36.18 15.67 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.22 0.452 . . . . 25.0 112.22 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.7 mt -87.24 -30.29 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 -176.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -80.12 -10.99 59.8 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.905 0.706 . . . . 25.0 112.905 -175.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -102.1 0.94 35.67 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.271 -0.877 . . . . 25.0 109.515 173.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 87.5 mtp -98.75 -31.15 12.04 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.169 -0.923 . . . . 25.0 110.79 173.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -89.74 -19.97 24.13 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.082 0.553 . . . . 25.0 112.437 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -72.19 -24.73 61.46 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.225 0.21 . . . . 25.0 111.346 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 83.7 p -81.89 -29.39 32.44 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.167 -0.47 . . . . 25.0 111.512 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -79.12 -28.94 42.96 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.205 -0.452 . . . . 25.0 111.406 178.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 612' ' ' PHE . 87.4 mt -84.85 -14.75 46.99 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.696 -0.684 . . . . 25.0 111.148 174.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 44.8 tp -81.72 -30.14 32.63 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.258 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.4 p -76.0 -16.18 60.01 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.047 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -74.26 -21.75 59.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.997 0.519 . . . . 25.0 112.255 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 89.4 mt -90.74 -28.34 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 115.192 -0.913 . . . . 25.0 110.696 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 81.0 p -92.27 -41.85 10.17 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.521 -0.309 . . . . 25.0 111.783 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 37.7 p . . . . . 0 C--O 1.249 1.073 0 CA-C-O 117.985 -1.007 . . . . 25.0 110.979 179.762 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.15 0 N-CA-C 112.451 -0.259 . . . . 25.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 56.7 t -90.42 140.76 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 109.961 -0.385 . . . . 25.0 109.961 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -92.13 122.79 34.96 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.024 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -139.05 155.63 47.8 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.557 -0.747 . . . . 25.0 111.122 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -79.94 -18.95 71.27 Favored Glycine 0 C--N 1.342 0.906 0 CA-C-N 115.454 -0.794 . . . . 25.0 114.137 -177.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -84.45 -35.58 22.92 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.949 0.374 . . . . 25.0 111.299 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -63.84 -38.42 91.03 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.608 0.763 . . . . 25.0 112.161 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -88.35 -8.7 54.66 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.779 0.323 . . . . 25.0 111.588 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -96.9 -25.99 15.23 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.783 -0.644 . . . . 25.0 111.419 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.532 HG13 HD23 ' A' ' 599' ' ' LEU . 32.3 t -82.34 136.28 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-O 120.884 0.374 . . . . 25.0 110.478 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.0 p -107.77 -179.93 4.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.434 -0.803 . . . . 25.0 111.573 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -78.09 -18.44 55.71 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.83 -0.623 . . . . 25.0 110.096 169.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -83.04 -25.41 32.15 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.765 -0.652 . . . . 25.0 111.252 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.532 HD23 HG13 ' A' ' 595' ' ' VAL . 38.0 tp -66.24 -50.96 61.99 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 122.907 0.129 . . . . 25.0 111.286 174.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -56.35 -31.25 63.59 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.065 0.546 . . . . 25.0 111.974 -175.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.6 p -77.97 -27.9 49.26 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.263 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -84.03 -20.91 31.93 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.05 -0.523 . . . . 25.0 110.681 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 50.5 mt -78.25 -36.13 47.28 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.429 0.691 . . . . 25.0 109.636 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 608' ' ' VAL . 48.1 t -72.21 -37.59 59.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-N 114.85 -1.068 . . . . 25.0 110.604 171.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.599 ' HA ' HG22 ' A' ' 608' ' ' VAL . 85.9 t60 -72.3 -16.78 61.9 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.243 0.339 . . . . 25.0 110.482 175.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.83 -22.45 29.46 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.276 174.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.561 HD23 ' HB1' ' A' ' 632' ' ' ALA . 3.8 tp -86.67 -45.04 11.36 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 114.198 -1.364 . . . . 25.0 111.518 -178.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.599 HG22 ' HA ' ' A' ' 605' ' ' HIS . 33.8 m -69.12 -26.54 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 123.583 0.753 . . . . 25.0 111.649 -177.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -81.68 -37.01 28.1 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.908 0.385 . . . . 25.0 110.686 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.35 72.47 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.249 -0.887 . . . . 25.0 111.719 175.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.617 HG21 HD21 ' A' ' 628' ' ' LEU . 91.7 mt -84.23 -49.45 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 176.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' A' ' 612' ' ' PHE . 26.2 p90 -141.32 106.85 6.09 Favored Pre-proline 0 CA--C 1.552 1.055 0 O-C-N 123.291 0.369 . . . . 25.0 110.599 174.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -75.98 139.41 21.81 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.444 2.096 . . . . 25.0 112.479 173.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 27.4 m -153.17 129.07 5.2 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 116.298 -0.41 . . . . 25.0 111.782 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -48.61 -58.04 1.99 Allowed 'Trans proline' 0 C--N 1.371 1.729 0 C-N-CA 123.827 3.018 . . . . 25.0 114.242 173.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 38.8 t0 -89.8 116.62 66.8 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.945 -0.57 . . . . 25.0 111.812 -178.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 55.5 Cg_endo -64.42 -10.41 23.96 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.791 2.327 . . . . 25.0 114.233 174.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.61 -10.87 59.81 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -177.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.622 ' HB1' HD11 ' B' ' 545' ' ' LEU . . . -84.77 -14.77 47.17 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 111.908 0.336 . . . . 25.0 111.908 178.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 620' ' ' LEU . 3.1 mt -85.2 3.9 37.14 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.067 -0.515 . . . . 25.0 112.173 -176.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -96.63 15.21 22.37 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.01 0.433 . . . . 25.0 110.994 -176.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -76.88 165.96 23.99 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.738 -0.664 . . . . 25.0 111.598 -174.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -71.74 -55.04 8.39 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 122.754 0.422 . . . . 25.0 111.923 -175.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -71.02 -19.74 62.47 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.02 0.528 . . . . 25.0 112.102 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.5 ttm -79.1 -36.83 40.08 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.603 0.361 . . . . 25.0 111.261 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -54.52 -20.23 7.38 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -73.52 -31.84 63.91 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 122.438 0.295 . . . . 25.0 111.686 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.617 HD21 HG21 ' A' ' 611' ' ' ILE . 21.1 tp -86.2 -32.98 20.91 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 122.7 0.4 . . . . 25.0 110.485 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.62 -35.77 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.076 0.55 . . . . 25.0 110.144 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -80.6 -19.08 46.3 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.245 -0.889 . . . . 25.0 111.782 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -41.75 67.85 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.219 -0.446 . . . . 25.0 110.301 170.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.561 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -83.33 -24.71 32.0 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.753 -177.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -73.74 -22.39 59.89 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.105 -0.498 . . . . 25.0 110.727 175.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -85.56 -36.08 20.67 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.213 -0.903 . . . . 25.0 111.561 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 39.7 t -73.8 -42.83 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 112.275 0.472 . . . . 25.0 112.275 -174.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -55.96 -31.85 63.33 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.762 0.825 . . . . 25.0 112.295 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -76.44 -19.15 78.51 Favored Glycine 0 C--N 1.344 0.983 0 O-C-N 123.38 0.425 . . . . 25.0 113.278 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -84.68 -19.47 32.78 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 122.666 0.386 . . . . 25.0 111.078 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.782 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 20.9 mtm -74.88 -20.85 59.56 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 178.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -79.13 -32.08 44.34 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.154 -0.476 . . . . 25.0 111.202 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -89.1 -26.5 21.32 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.072 -0.513 . . . . 25.0 112.177 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 m -88.86 -46.38 8.98 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 -174.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -83.77 153.08 24.31 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -114.22 -14.16 12.31 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.71 -0.677 . . . . 25.0 111.935 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.2 p -132.07 161.22 33.77 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.289 0.368 . . . . 25.0 110.438 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -74.36 -23.86 59.07 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.994 -0.548 . . . . 25.0 112.05 -174.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -81.3 -25.7 36.29 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.179 0.3 . . . . 25.0 111.472 176.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -85.58 -41.58 15.13 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.147 -0.479 . . . . 25.0 110.126 176.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 649' ' ' TYR . . . . . 0.433 ' HD1' ' O ' ' A' ' 639' ' ' MET . 79.1 t80 -56.98 -49.73 74.84 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.544 0.738 . . . . 25.0 111.29 178.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -66.41 -15.64 63.47 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -82.64 -42.99 17.49 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 -175.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.53 -22.56 61.84 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.2 0.444 . . . . 25.0 112.2 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.782 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 1.0 OUTLIER -87.67 -36.28 17.52 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.897 0.479 . . . . 25.0 110.918 177.663 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.19 -21.9 60.58 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.943 -0.571 . . . . 25.0 111.5 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -75.17 -38.37 60.9 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.042 -0.526 . . . . 25.0 112.143 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -68.65 -28.05 66.54 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.542 -0.54 . . . . 25.0 109.542 172.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 17.7 mt -72.59 -41.38 63.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 115.535 -0.757 . . . . 25.0 110.711 -176.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -78.25 -26.3 47.17 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 120.957 0.408 . . . . 25.0 110.416 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -78.07 -35.28 49.71 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 115.145 -0.934 . . . . 25.0 112.215 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 96.7 mt -80.22 -31.68 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 110.248 -0.279 . . . . 25.0 110.248 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.16 -19.14 64.21 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.862 -0.608 . . . . 25.0 112.276 174.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.05 -41.55 95.07 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.076 0.55 . . . . 25.0 111.946 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -71.94 -39.85 69.15 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 123.389 0.431 . . . . 25.0 111.234 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.33 -21.45 65.66 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.929 -0.578 . . . . 25.0 112.296 173.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -70.87 -26.32 63.2 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.781 0.432 . . . . 25.0 111.587 -176.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -78.48 -26.81 46.15 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.2 0.312 . . . . 25.0 110.662 173.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -86.62 -17.71 33.22 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.549 -0.75 . . . . 25.0 111.162 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -78.46 -27.25 46.34 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 122.722 0.409 . . . . 25.0 111.196 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -91.53 -10.1 41.94 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.293 -0.412 . . . . 25.0 111.785 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 99.4 p -88.74 -36.64 16.02 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.076 0.398 . . . . 25.0 112.076 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -84.98 -21.33 29.56 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--O 1.248 1.021 0 CA-C-O 117.972 -1.013 . . . . 25.0 110.949 -174.512 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.442 -0.263 . . . . 25.0 112.442 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 42.0 t -118.4 131.36 24.27 Favored Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 123.642 0.26 . . . . 25.0 110.763 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -72.8 141.22 33.4 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.387 2.058 . . . . 25.0 113.348 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 142.05 137.32 3.35 Favored Glycine 0 C--N 1.337 0.593 0 CA-C-N 115.835 -0.62 . . . . 25.0 112.497 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -125.32 120.4 24.97 Favored Pre-proline 0 CA--C 1.546 0.802 0 CA-C-O 119.572 -0.251 . . . . 25.0 110.463 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.53 147.18 28.13 Favored 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 122.267 1.978 . . . . 25.0 113.309 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -104.81 -34.58 8.04 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.914 -0.585 . . . . 25.0 111.849 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 109.02 -176.51 19.84 Favored Glycine 0 C--N 1.342 0.88 0 C-N-CA 121.423 -0.418 . . . . 25.0 113.337 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 527' ' ' LEU . . . . . 0.502 ' C ' ' H ' ' B' ' 529' ' ' SER . 85.0 mt -129.74 -164.99 1.47 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.715 0.406 . . . . 25.0 110.715 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 82.2 mt 66.56 -18.93 0.11 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.796 1.238 . . . . 25.0 112.314 -177.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 529' ' ' SER . . . . . 0.502 ' H ' ' C ' ' B' ' 527' ' ' LEU . 47.1 t -134.54 66.54 1.53 Allowed 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.545 0.688 . . . . 25.0 109.661 176.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -96.56 39.4 2.82 Favored Glycine 0 C--N 1.34 0.802 0 CA-C-N 115.302 -0.863 . . . . 25.0 113.083 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -129.44 -2.2 4.94 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.879 0.371 . . . . 25.0 110.908 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -94.2 -5.04 47.91 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.594 -0.73 . . . . 25.0 111.713 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -86.67 -9.95 54.85 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 114.822 -1.081 . . . . 25.0 112.153 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 534' ' ' PHE . . . . . 0.527 ' O ' ' HB3' ' B' ' 538' ' ' ALA . 76.6 m-85 -83.56 -11.8 56.91 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.531 0.682 . . . . 25.0 111.565 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 91.9 p -84.51 -34.5 23.32 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.331 -1.304 . . . . 25.0 110.277 176.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 89.7 p -90.96 -44.61 9.24 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.802 -0.636 . . . . 25.0 112.133 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.0 mt -86.71 -45.0 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -172.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 538' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' B' ' 534' ' ' PHE . . . -76.73 -10.93 59.73 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -171.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -101.44 -17.55 16.41 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.583 -0.735 . . . . 25.0 109.749 174.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 39.3 mtp -83.45 -22.2 32.68 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.653 -0.703 . . . . 25.0 110.917 170.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -85.59 -31.78 22.44 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.522 -0.763 . . . . 25.0 112.274 -175.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 542' ' ' PHE . . . . . 0.415 ' O ' ' CD1' ' B' ' 542' ' ' PHE . 4.2 t80 -85.52 -19.04 31.77 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 112.586 0.587 . . . . 25.0 112.586 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.0 p -64.43 -22.39 66.94 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.186 0.594 . . . . 25.0 112.388 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -82.19 -23.06 35.67 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.622 HD11 ' HB1' ' A' ' 619' ' ' ALA . 14.6 tp -81.94 -15.27 54.39 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.0 mt -83.25 -33.26 26.08 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.02 0.438 . . . . 25.0 110.767 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.5 p -75.83 -16.52 60.07 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.185 -0.916 . . . . 25.0 112.354 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -83.12 -12.47 57.01 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.158 0.429 . . . . 25.0 112.158 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.0 mt -104.89 -32.16 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.86 -0.609 . . . . 25.0 110.381 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 85.7 p -95.82 -39.86 9.63 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.307 -0.406 . . . . 25.0 111.765 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 117.993 -1.003 . . . . 25.0 111.794 -179.483 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 N-CA-C 112.522 -0.231 . . . . 25.0 112.522 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 84.4 t -90.29 130.52 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 N-CA-C 110.09 -0.337 . . . . 25.0 110.09 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -91.33 130.84 37.14 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.924 -0.58 . . . . 25.0 111.546 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -115.56 -174.25 2.48 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.835 -0.62 . . . . 25.0 111.058 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -66.3 -36.72 92.08 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 114.041 0.376 . . . . 25.0 114.041 -177.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 30.1 p-90 -69.31 -31.79 70.49 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 -177.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -13.14 60.58 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 116.395 -0.366 . . . . 25.0 111.549 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.36 -26.98 26.16 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.502 0.556 . . . . 25.0 112.502 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -106.68 -24.04 12.25 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.056 0.762 . . . . 25.0 113.056 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.482 HG13 HD23 ' A' ' 599' ' ' LEU . 53.5 t -77.07 127.36 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 120.978 0.418 . . . . 25.0 110.343 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 53.6 p -111.28 -175.14 2.63 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.171 -0.922 . . . . 25.0 111.437 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -72.38 -18.3 61.75 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.901 -0.591 . . . . 25.0 109.962 168.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -78.4 -36.03 46.31 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 115.754 -0.657 . . . . 25.0 112.021 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.482 HD23 HG13 ' A' ' 595' ' ' VAL . 50.5 tp -62.47 -48.75 78.25 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 111.457 0.169 . . . . 25.0 111.457 173.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.481 ' O ' HG23 ' A' ' 604' ' ' VAL . 55.1 mtp180 -56.49 -30.13 62.6 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.105 0.562 . . . . 25.0 112.047 -175.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.8 p -78.53 -30.4 46.99 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.552 -0.749 . . . . 25.0 111.576 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -81.01 -21.21 40.38 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.038 0.447 . . . . 25.0 110.315 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.75 -32.58 60.05 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.179 0.992 . . . . 25.0 110.015 173.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 600' ' ' ARG . 77.6 t -83.33 -30.9 8.28 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.022 -0.99 . . . . 25.0 110.832 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -75.85 -17.24 59.89 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.661 0.384 . . . . 25.0 110.474 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -85.14 -25.52 27.41 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 122.059 0.933 . . . . 25.0 108.893 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.529 HD23 ' HB1' ' A' ' 632' ' ' ALA . 49.0 tp -87.12 -40.16 14.9 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 113.194 -1.821 . . . . 25.0 111.512 -177.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 42.5 t -74.72 -22.63 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.173 0.589 . . . . 25.0 111.549 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -83.43 -25.72 31.0 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.551 0.215 . . . . 25.0 111.352 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -79.01 -27.84 43.29 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.385 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.551 HG12 HG21 ' A' ' 660' ' ' ILE . 89.2 mt -81.19 -51.89 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 176.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.425 ' CG ' HD13 ' B' ' 545' ' ' LEU . 68.6 t80 -145.04 113.69 4.91 Favored Pre-proline 0 CA--C 1.549 0.912 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.117 171.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -65.77 135.13 40.32 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.347 2.031 . . . . 25.0 112.139 173.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.65 114.78 56.55 Favored Pre-proline 0 C--O 1.236 0.371 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 -175.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -61.56 -51.97 3.61 Favored 'Trans proline' 0 C--N 1.369 1.657 0 C-N-CA 123.359 2.706 . . . . 25.0 112.591 166.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -107.66 124.33 35.28 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 114.895 -1.048 . . . . 25.0 111.429 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -61.93 -9.99 16.1 Favored 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 123.109 2.539 . . . . 25.0 114.096 174.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.72 -7.99 57.3 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.808 0.67 . . . . 25.0 112.808 -177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.2 -8.28 59.5 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 80.3 mt -84.14 -4.88 59.1 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -107.42 14.72 25.64 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.84 0.353 . . . . 25.0 111.366 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -83.61 166.05 18.51 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.135 -0.484 . . . . 25.0 111.37 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -71.72 -54.71 9.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.948 0.499 . . . . 25.0 111.449 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -68.79 -29.74 68.17 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.773 0.656 . . . . 25.0 112.773 -177.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.2 tpt -77.76 -38.65 46.44 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.367 0.267 . . . . 25.0 111.677 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -56.71 -19.89 19.04 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.09 0.556 . . . . 25.0 112.205 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.55 -38.03 80.46 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.414 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 94.4 mt -86.47 -30.47 22.0 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 120.445 0.164 . . . . 25.0 110.907 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' A' ' 633' ' ' LYS . 74.5 t -56.34 -34.18 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 170.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -77.44 -18.64 57.02 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 114.869 -1.06 . . . . 25.0 111.42 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 3.9 t80 -74.54 -41.84 59.89 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.688 0.395 . . . . 25.0 110.27 169.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.529 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -81.8 -25.53 35.16 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.938 -0.573 . . . . 25.0 112.397 -173.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 629' ' ' VAL . 24.2 mttt -69.58 -27.09 64.82 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.695 0.628 . . . . 25.0 112.695 -176.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.572 ' HB3' HD11 ' B' ' 527' ' ' LEU . 49.2 mmtm -82.23 -35.44 28.19 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.816 0.446 . . . . 25.0 111.401 -177.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.446 HG11 ' HD2' ' A' ' 656' ' ' LYS . 78.6 t -70.03 -46.26 73.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 115.567 -0.742 . . . . 25.0 112.59 -168.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -55.66 -30.86 61.75 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.43 0.692 . . . . 25.0 112.135 -175.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -80.13 -19.48 69.56 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 116.287 -0.415 . . . . 25.0 113.141 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -84.98 -19.74 31.62 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 122.745 0.418 . . . . 25.0 110.968 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.706 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 45.1 mtm -73.56 -20.85 60.52 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.154 0.427 . . . . 25.0 112.154 177.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 640' ' ' TYR . 0.0 OUTLIER -78.6 -31.87 47.3 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.746 0.418 . . . . 25.0 111.857 -176.31 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.478 ' HG2' ' CE2' ' A' ' 640' ' ' TYR . 3.3 mm-40 -88.25 -22.71 23.8 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.322 0.389 . . . . 25.0 111.957 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 29.9 m -90.57 -44.82 9.31 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.049 0.388 . . . . 25.0 112.049 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.56 159.89 16.23 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.318 0.386 . . . . 25.0 111.978 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -120.08 -19.77 7.67 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.926 -0.579 . . . . 25.0 111.475 -178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 80.1 p -132.0 159.07 39.83 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.323 0.249 . . . . 25.0 110.641 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 8.1 ptt-85 -68.76 -19.59 64.33 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.019 0.748 . . . . 25.0 113.019 -175.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 647' ' ' ASP . . . . . 0.441 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 79.0 m-20 -81.21 -30.39 34.29 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 123.211 0.319 . . . . 25.0 110.73 177.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -86.39 -45.53 11.1 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 123.413 0.446 . . . . 25.0 110.37 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 649' ' ' TYR . . . . . 0.409 ' HD2' ' CD1' ' A' ' 650' ' ' TYR . 83.6 t80 -55.85 -52.03 65.47 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.678 0.791 . . . . 25.0 111.488 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.409 ' CD1' ' HD2' ' A' ' 649' ' ' TYR . 16.9 m-30 -64.28 -15.61 60.51 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 173.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 651' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 1.2 t60 -83.42 -42.78 16.59 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.23 0.456 . . . . 25.0 112.23 -175.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.26 -23.79 62.67 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 112.31 0.485 . . . . 25.0 112.31 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.706 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -87.26 -34.94 18.76 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 122.774 0.43 . . . . 25.0 110.549 177.305 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -72.28 -22.35 61.23 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.848 -0.615 . . . . 25.0 111.325 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -76.39 -36.74 57.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.871 -0.604 . . . . 25.0 112.205 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.446 ' HD2' HG11 ' A' ' 635' ' ' VAL . 57.3 mttp -71.3 -26.25 62.78 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 172.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 6.4 mt -71.89 -30.0 35.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 115.27 -0.877 . . . . 25.0 110.425 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -84.4 -33.44 23.76 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.211 -0.45 . . . . 25.0 111.093 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.413 ' NZ ' ' OE2' ' B' ' 532' ' ' GLU . 88.5 tttt -77.53 -30.36 52.81 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 112.253 0.464 . . . . 25.0 112.253 -177.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.551 HG21 HG12 ' A' ' 611' ' ' ILE . 90.9 mt -76.94 -29.64 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 176.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -70.8 -19.65 62.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.489 -0.778 . . . . 25.0 111.85 172.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -79.29 -40.72 29.75 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.776 0.43 . . . . 25.0 112.107 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -69.12 -41.69 77.05 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.605 0.594 . . . . 25.0 112.605 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 68.2 mt -60.0 -21.15 60.92 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 112.486 0.55 . . . . 25.0 112.486 173.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -86.53 -18.13 32.33 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 122.518 0.327 . . . . 25.0 111.479 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -75.78 -24.89 56.04 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 122.699 0.4 . . . . 25.0 111.457 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -85.98 -22.88 27.11 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.116 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -87.31 -25.51 23.87 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.632 -0.713 . . . . 25.0 111.462 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -91.72 -18.38 24.01 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 111.779 0.289 . . . . 25.0 111.779 -178.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 61.8 p -92.23 -38.82 11.88 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.654 0.613 . . . . 25.0 112.654 -174.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -112.16 -75.79 0.6 Allowed 'General case' 0 C--O 1.234 0.283 0 N-CA-C 112.369 0.507 . . . . 25.0 112.369 -176.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 81.4 mt . . . . . 0 C--O 1.252 1.224 0 CA-C-N 115.727 -0.669 . . . . 25.0 111.123 -178.062 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 112.579 -0.208 . . . . 25.0 112.579 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 19.1 t -120.57 133.79 24.1 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 122.42 0.288 . . . . 25.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.05 138.69 31.42 Favored 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 122.399 2.066 . . . . 25.0 113.418 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -158.95 148.34 17.19 Favored Glycine 0 C--N 1.339 0.714 0 CA-C-N 115.865 -0.607 . . . . 25.0 112.763 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -108.9 97.99 27.39 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 122.387 0.275 . . . . 25.0 110.357 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -67.69 162.78 37.84 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.744 2.296 . . . . 25.0 113.219 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 64.38 120.9 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.268 1.027 . . . . 25.0 111.728 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -176.94 48.9 0.11 Allowed Glycine 0 C--N 1.338 0.668 0 CA-C-N 115.587 -0.733 . . . . 25.0 112.747 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 527' ' ' LEU . . . . . 0.572 HD11 ' HB3' ' A' ' 634' ' ' LYS . 7.6 mt -122.13 30.23 6.68 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 112.015 0.376 . . . . 25.0 112.015 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 84.5 mt -74.62 82.21 2.03 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.504 0.669 . . . . 25.0 109.884 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 23.0 t 63.31 94.46 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 115.051 -0.977 . . . . 25.0 111.421 -177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 178.63 85.51 0.06 OUTLIER Glycine 0 C--N 1.337 0.61 0 CA-C-N 115.423 -0.808 . . . . 25.0 112.581 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -135.14 -11.27 2.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.755 -0.723 . . . . 25.0 110.802 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 532' ' ' GLU . . . . . 0.413 ' OE2' ' NZ ' ' A' ' 659' ' ' LYS . 9.0 mt-10 -118.69 -4.59 10.74 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.691 -0.686 . . . . 25.0 111.84 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -91.22 -9.64 44.55 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.083 -0.962 . . . . 25.0 111.904 -175.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -82.29 -12.13 58.21 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.637 0.256 . . . . 25.0 111.62 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 89.7 p -66.71 -21.21 66.09 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.831 -0.622 . . . . 25.0 111.773 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 87.4 p -85.51 -24.62 27.25 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.727 -0.67 . . . . 25.0 110.718 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.54 -32.06 6.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 115.677 -0.692 . . . . 25.0 110.938 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.77 -11.19 59.11 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -99.03 -11.76 21.2 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.564 -0.744 . . . . 25.0 109.92 174.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 97.7 mtp -94.4 -27.57 15.98 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.569 -0.741 . . . . 25.0 110.995 172.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 541' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 84.1 m-20 -89.45 -19.61 24.92 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.536 -0.757 . . . . 25.0 111.608 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -72.33 -28.13 62.87 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 122.975 0.172 . . . . 25.0 111.243 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 99.4 p -81.93 -23.94 35.89 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.4 0.438 . . . . 25.0 111.659 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 544' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.35 -22.61 30.49 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.164 0.431 . . . . 25.0 112.164 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 85.7 mt -83.18 -18.2 40.19 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.321 0.489 . . . . 25.0 112.321 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.2 mt -84.55 -28.86 26.35 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.944 0.402 . . . . 25.0 110.805 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.6 p -75.89 -15.57 60.18 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.257 -0.883 . . . . 25.0 112.348 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 548' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 93.8 mm-40 -69.02 -14.09 62.83 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 112.902 0.705 . . . . 25.0 112.902 -176.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 78.9 mt -104.73 -25.23 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 85.7 p -95.06 -41.45 9.12 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.177 0.298 . . . . 25.0 111.683 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--O 1.253 1.265 0 CA-C-O 118.699 -0.667 . . . . 25.0 111.01 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.452 -0.259 . . . . 25.0 112.452 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 95.2 t -90.38 140.18 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 111.819 0.303 . . . . 25.0 111.819 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -92.47 123.9 36.12 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.812 -0.631 . . . . 25.0 110.799 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.477 ' HB2' ' CD1' ' A' ' 591' ' ' TRP . 97.9 mttt -123.41 -169.14 1.89 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.018 -0.537 . . . . 25.0 109.831 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -54.04 -21.21 16.8 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 114.703 0.641 . . . . 25.0 114.703 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.477 ' CD1' ' HB2' ' A' ' 589' ' ' LYS . 57.7 p-90 -68.15 -33.13 73.9 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.14 0.576 . . . . 25.0 112.535 178.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.19 -12.91 60.4 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.325 0.25 . . . . 25.0 111.155 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -81.97 -21.52 37.12 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.132 -0.485 . . . . 25.0 111.899 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -115.13 -24.13 8.68 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.752 0.649 . . . . 25.0 112.752 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 77.7 t -80.44 125.24 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-O 121.042 0.449 . . . . 25.0 110.038 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 73.2 p -112.45 -175.61 2.72 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.074 -0.966 . . . . 25.0 111.164 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -75.29 -18.25 60.1 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.069 -0.514 . . . . 25.0 110.308 168.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -84.6 -36.03 22.31 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 115.881 -0.599 . . . . 25.0 112.246 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.63 -46.9 87.81 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 117.761 0.255 . . . . 25.0 111.472 176.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -55.43 -29.5 58.73 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.11 0.564 . . . . 25.0 111.999 -176.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 83.5 p -78.19 -32.17 49.89 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.507 -0.769 . . . . 25.0 111.798 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -82.97 -21.62 33.93 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.633 0.373 . . . . 25.0 110.711 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.522 ' CD1' ' OH ' ' A' ' 649' ' ' TYR . 37.5 mt -71.52 -31.59 67.22 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.772 0.829 . . . . 25.0 110.239 173.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 28.0 t -83.4 -33.55 10.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 115.098 -0.955 . . . . 25.0 110.869 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.539 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 80.1 t60 -74.94 -16.81 60.63 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 122.61 0.364 . . . . 25.0 110.789 176.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -85.76 -27.81 24.98 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 122.134 0.969 . . . . 25.0 108.671 176.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 14.3 tp -87.08 -37.97 16.93 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 113.017 -1.901 . . . . 25.0 111.619 -175.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 77.6 t -75.93 -24.76 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.163 0.585 . . . . 25.0 111.279 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 609' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 99.6 mm-40 -83.65 -25.81 30.44 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.491 0.186 . . . . 25.0 111.313 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -76.41 -31.86 58.18 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 116.036 -0.529 . . . . 25.0 111.275 174.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.613 HG12 HG21 ' A' ' 660' ' ' ILE . 88.5 mt -78.81 -56.46 7.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 N-CA-C 109.527 -0.545 . . . . 25.0 109.527 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -142.85 110.94 5.66 Favored Pre-proline 0 CA--C 1.547 0.841 0 O-C-N 123.328 0.392 . . . . 25.0 110.301 172.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -68.45 134.81 31.92 Favored 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 122.28 1.987 . . . . 25.0 112.215 173.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.409 ' CG2' ' HB3' ' A' ' 619' ' ' ALA . 0.1 OUTLIER -105.02 113.28 64.91 Favored Pre-proline 0 C--O 1.236 0.352 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 -177.439 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -59.96 -51.6 5.54 Favored 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 123.416 2.744 . . . . 25.0 112.634 167.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -107.06 123.19 39.16 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 114.813 -1.085 . . . . 25.0 111.098 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -60.83 -10.47 14.59 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 123.004 2.469 . . . . 25.0 114.25 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.24 -8.28 56.72 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.409 ' HB3' ' CG2' ' A' ' 614' ' ' THR . . . -81.48 -17.72 47.67 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.724 0.41 . . . . 25.0 112.017 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 90.7 mt -81.19 2.4 27.87 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.222 -0.444 . . . . 25.0 112.159 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -101.49 14.58 31.53 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.111 0.481 . . . . 25.0 110.784 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.29 153.41 20.91 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.594 -0.73 . . . . 25.0 110.776 -177.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 14.4 mmp_? -79.66 -37.48 35.82 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.3 -0.864 . . . . 25.0 110.76 -176.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.411 ' CZ ' ' HB1' ' B' ' 544' ' ' ALA . 62.6 mtm180 -72.59 -28.03 62.54 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 114.816 -1.084 . . . . 25.0 112.049 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -80.9 -37.08 30.29 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 122.572 0.349 . . . . 25.0 111.063 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.33 -20.31 18.42 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.426 0.691 . . . . 25.0 112.446 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -70.84 -35.81 72.6 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 96.0 mt -86.44 -29.75 22.59 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 110.482 -0.192 . . . . 25.0 110.482 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.47 -32.33 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 122.869 0.468 . . . . 25.0 109.834 170.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -80.59 -19.25 45.95 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 114.95 -1.023 . . . . 25.0 111.525 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.412 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 75.0 t80 -74.13 -41.74 61.11 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.858 0.463 . . . . 25.0 110.112 169.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -79.33 -37.86 36.58 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.053 -0.521 . . . . 25.0 111.941 -174.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -66.31 -21.49 66.26 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.145 0.578 . . . . 25.0 111.037 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -86.24 -37.23 18.82 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.206 -0.906 . . . . 25.0 112.217 -177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.501 HG11 ' HD2' ' A' ' 656' ' ' LYS . 25.5 t -67.53 -48.07 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 N-CA-C 113.487 0.921 . . . . 25.0 113.487 -168.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -63.78 -21.58 66.49 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 112.937 0.717 . . . . 25.0 112.937 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -72.37 -26.33 72.23 Favored Glycine 0 C--N 1.344 0.985 0 O-C-N 123.207 0.317 . . . . 25.0 112.687 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -87.53 -19.04 28.45 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 122.936 0.494 . . . . 25.0 110.739 176.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.607 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 31.9 mmt -70.35 -26.01 63.55 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -78.08 -25.1 47.46 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.48 -0.327 . . . . 25.0 111.271 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -88.94 -23.34 22.71 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.243 -0.435 . . . . 25.0 111.834 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 55.1 p -96.12 -39.1 9.88 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 -176.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -89.66 153.79 20.46 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.714 0.264 . . . . 25.0 111.714 -177.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -121.73 -14.11 8.19 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.91 -0.586 . . . . 25.0 111.147 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 51.5 p -131.97 165.48 23.85 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.628 -0.26 . . . . 25.0 110.848 -176.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -68.97 -31.82 70.95 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.075 0.55 . . . . 25.0 111.705 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 647' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 98.9 m-20 -80.73 -23.69 39.29 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.053 0.39 . . . . 25.0 112.053 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -86.44 -38.29 17.48 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.945 -0.391 . . . . 25.0 109.945 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 649' ' ' TYR . . . . . 0.522 ' OH ' ' CD1' ' A' ' 603' ' ' LEU . 0.8 OUTLIER -58.97 -54.73 43.8 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.067 0.547 . . . . 25.0 111.316 177.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -72.1 -21.48 61.48 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.809 1.04 . . . . 25.0 113.809 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 651' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 2.1 m80 -81.3 -34.23 32.08 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 111.71 0.263 . . . . 25.0 111.71 -177.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.607 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 72.3 mt -61.99 -38.2 87.72 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.392 0.677 . . . . 25.0 112.295 175.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.62 -30.29 61.6 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.935 -0.575 . . . . 25.0 112.312 173.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.433 ' O ' ' CD1' ' A' ' 658' ' ' TYR . . . -78.38 -27.0 46.78 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -76.18 -30.88 58.24 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.233 0.456 . . . . 25.0 112.233 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.501 ' HD2' HG11 ' A' ' 635' ' ' VAL . 23.5 mttm -69.93 -28.67 65.77 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 171.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 3.5 mt -67.68 -32.0 54.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 114.964 -1.016 . . . . 25.0 110.698 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 658' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 654' ' ' ALA . 60.7 m-85 -85.56 -34.43 21.48 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.284 -0.416 . . . . 25.0 111.461 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -71.78 -33.7 68.82 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.613 HG21 HG12 ' A' ' 611' ' ' ILE . 96.8 mt -74.12 -28.69 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 116.105 -0.498 . . . . 25.0 109.849 177.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -70.37 -19.8 63.0 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.38 -0.827 . . . . 25.0 111.917 171.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 662' ' ' LYS . . . . . 0.515 ' O ' ' HB2' ' A' ' 665' ' ' GLU . 30.2 ttpt -81.09 -38.08 27.89 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.973 0.509 . . . . 25.0 112.243 178.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -70.31 -41.1 73.74 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 122.982 0.513 . . . . 25.0 112.261 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.19 -21.62 66.33 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 116.066 -0.515 . . . . 25.0 112.28 172.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 665' ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' A' ' 662' ' ' LYS . 12.5 mm-40 -72.46 -17.17 61.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 122.875 0.47 . . . . 25.0 111.091 178.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -70.91 -22.36 62.26 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.709 0.404 . . . . 25.0 111.306 174.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -83.0 -27.19 30.56 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.614 174.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -87.19 -20.93 26.26 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.52 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -91.56 -26.06 18.92 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.47 -0.332 . . . . 25.0 111.418 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 76.5 p -91.95 -39.12 11.87 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.611 -0.268 . . . . 25.0 111.656 -177.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 53.2 94.07 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.778 0.831 . . . . 25.0 112.057 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 57.4 tp . . . . . 0 N--CA 1.48 1.064 0 C-N-CA 124.497 1.119 . . . . 25.0 113.621 -178.754 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.116 0 N-CA-C 112.494 -0.242 . . . . 25.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 12.8 t -107.77 124.58 34.46 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 122.306 0.243 . . . . 25.0 110.693 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -73.92 -24.75 14.95 Favored 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 122.42 2.08 . . . . 25.0 113.919 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 112.49 -69.09 0.23 Allowed Glycine 0 C--N 1.341 0.81 0 O-C-N 123.381 0.426 . . . . 25.0 112.714 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -117.98 98.61 51.66 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 122.425 0.29 . . . . 25.0 111.301 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.84 -10.44 26.33 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.769 2.313 . . . . 25.0 113.748 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -84.48 -19.29 33.57 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -97.95 154.75 20.29 Favored Glycine 0 C--N 1.341 0.823 0 C-N-CA 121.452 -0.404 . . . . 25.0 112.91 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 96.5 mt -116.73 30.51 7.29 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 120.902 0.382 . . . . 25.0 111.791 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 90.3 mt -74.19 -6.86 50.31 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.649 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 38.7 t -142.48 91.49 2.33 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.445 -0.798 . . . . 25.0 110.138 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -163.89 -86.77 0.06 OUTLIER Glycine 0 C--N 1.336 0.57 0 CA-C-N 115.508 -0.769 . . . . 25.0 112.368 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -131.49 -4.01 3.77 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 120.844 0.354 . . . . 25.0 110.696 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -99.95 -4.1 30.87 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.759 -0.655 . . . . 25.0 112.483 -178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.64 -40.16 56.63 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.294 -0.867 . . . . 25.0 111.948 -175.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -88.23 -11.48 46.52 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.735 0.303 . . . . 25.0 111.341 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 53.4 p -67.53 -19.98 65.37 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.465 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 65.1 p -80.45 -27.78 37.83 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.96 -0.564 . . . . 25.0 110.735 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.5 mt -86.63 -32.4 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-N 115.305 -0.861 . . . . 25.0 110.926 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -82.26 -11.82 58.42 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -177.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -102.09 -7.69 22.07 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.406 -0.815 . . . . 25.0 109.528 174.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 49.6 ttm -95.21 -32.07 13.21 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.029 -0.987 . . . . 25.0 109.858 174.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 541' ' ' ASP . . . . . 0.49 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 98.5 m-20 -88.34 -19.75 26.26 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.268 -0.878 . . . . 25.0 111.927 -177.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -71.67 -26.25 62.45 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.418 0.152 . . . . 25.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 95.0 p -81.9 -26.45 34.1 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.132 -0.485 . . . . 25.0 111.577 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 544' ' ' ALA . . . . . 0.411 ' HB1' ' CZ ' ' A' ' 624' ' ' ARG . . . -84.23 -22.84 30.69 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.282 -0.417 . . . . 25.0 111.814 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 71.0 mt -80.16 -15.86 56.15 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.119 -0.491 . . . . 25.0 112.311 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 95.6 mt -81.29 -26.22 35.88 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 121.05 0.452 . . . . 25.0 110.626 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 60.6 p -75.83 -15.73 60.19 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.104 -0.953 . . . . 25.0 112.116 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -70.37 -12.9 61.89 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.085 0.772 . . . . 25.0 113.085 -176.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 40.9 pt -104.81 -17.81 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 112.365 0.505 . . . . 25.0 112.365 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 78.5 p -98.87 -40.53 8.05 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.538 -0.301 . . . . 25.0 111.303 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 C--O 1.252 1.188 0 CA-C-O 118.836 -0.602 . . . . 25.0 110.894 -179.893 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.453 -0.259 . . . . 25.0 112.453 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 85.8 t -90.16 134.68 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 109.983 -0.377 . . . . 25.0 109.983 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -91.28 129.42 37.27 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.887 -0.597 . . . . 25.0 111.49 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -114.6 -174.27 2.45 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.874 -0.603 . . . . 25.0 110.772 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -62.9 -41.97 99.77 Favored Glycine 0 C--N 1.347 1.169 0 N-CA-C 114.142 0.417 . . . . 25.0 114.142 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -68.0 -32.61 73.11 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.59 0.589 . . . . 25.0 112.59 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -73.35 -18.94 61.12 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.598 -0.274 . . . . 25.0 111.587 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -75.28 -29.1 60.01 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.675 0.62 . . . . 25.0 112.675 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -107.87 -24.74 11.53 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.413 ' HA ' HD12 ' A' ' 599' ' ' LEU . 53.5 t -78.98 126.85 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 109.738 -0.467 . . . . 25.0 109.738 178.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 73.3 p -111.16 -175.42 2.7 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.387 -0.824 . . . . 25.0 111.757 -174.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -73.12 -17.34 61.41 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.461 -0.79 . . . . 25.0 110.036 169.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -84.48 -31.15 24.69 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.862 -0.608 . . . . 25.0 111.523 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 595' ' ' VAL . 7.8 mt -66.52 -49.25 67.15 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 117.752 0.251 . . . . 25.0 111.302 173.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 81.3 mtp85 -54.43 -25.56 25.58 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -176.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 86.1 p -84.89 -35.07 22.42 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.996 -0.547 . . . . 25.0 111.621 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -77.33 -25.57 51.27 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.84 0.456 . . . . 25.0 111.335 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 47.8 mt -69.72 -31.62 69.72 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.787 0.835 . . . . 25.0 110.892 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 96.7 t -83.12 -27.23 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.38 1.072 . . . . 25.0 110.276 175.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -78.56 -16.91 56.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.069 -0.514 . . . . 25.0 109.859 171.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -81.37 -26.63 35.36 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.272 -0.876 . . . . 25.0 108.813 174.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.991 HD13 ' HB1' ' A' ' 632' ' ' ALA . 0.5 OUTLIER -78.06 -57.88 3.56 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 113.896 -1.502 . . . . 25.0 110.746 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 71.2 t -61.15 -24.85 34.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 C-N-CA 123.683 0.793 . . . . 25.0 111.631 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -83.76 -36.17 23.81 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.686 0.395 . . . . 25.0 110.45 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -74.75 -23.31 58.53 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.082 -0.508 . . . . 25.0 111.775 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.526 HG12 HD13 ' A' ' 660' ' ' ILE . 80.4 mt -87.44 -54.25 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 116.066 -0.515 . . . . 25.0 109.964 178.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.516 ' CD2' HD13 ' B' ' 545' ' ' LEU . 87.9 t80 -139.69 116.11 8.26 Favored Pre-proline 0 CA--C 1.548 0.896 0 O-C-N 123.217 0.323 . . . . 25.0 110.469 176.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 613' ' ' PRO . . . . . 0.444 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 51.8 Cg_exo -62.3 138.1 69.65 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.405 2.07 . . . . 25.0 112.335 173.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 37.0 m -92.35 114.4 62.17 Favored Pre-proline 0 CA--C 1.534 0.357 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -174.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 87.7 Cg_exo -63.97 -56.36 0.49 Allowed 'Trans proline' 0 C--N 1.368 1.563 0 C-N-CA 123.444 2.763 . . . . 25.0 112.757 167.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 617' ' ' PRO . 2.5 t70 -127.11 140.36 37.63 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 115.295 -0.866 . . . . 25.0 111.515 -178.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 616' ' ' ASP . 42.2 Cg_exo -59.84 -13.3 21.82 Favored 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 123.966 3.111 . . . . 25.0 114.292 174.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -85.79 -19.91 30.01 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.346 0.499 . . . . 25.0 112.346 -178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -67.03 -9.44 39.12 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.794 0.664 . . . . 25.0 112.794 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 97.0 mt -86.48 0.51 54.08 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -175.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -103.12 14.76 31.05 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.154 0.502 . . . . 25.0 110.494 -177.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -84.08 149.87 25.94 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.606 -0.724 . . . . 25.0 111.028 -177.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -75.13 -46.19 35.99 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.069 -0.969 . . . . 25.0 111.675 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -65.21 -19.57 66.03 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.685 0.624 . . . . 25.0 112.685 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 10.0 ttt -86.82 -41.43 14.07 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.732 0.271 . . . . 25.0 111.732 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -57.48 -20.01 28.17 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.409 0.892 . . . . 25.0 113.409 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -69.47 -33.91 73.58 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 178.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.548 ' O ' ' HB2' ' A' ' 631' ' ' TYR . 31.9 mt -86.77 -30.08 21.85 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 110.52 -0.178 . . . . 25.0 110.52 176.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 65.0 t -53.92 -40.59 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 N-CA-C 109.55 -0.537 . . . . 25.0 109.55 171.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -70.99 -19.76 62.5 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.896 -1.047 . . . . 25.0 111.692 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.548 ' HB2' ' O ' ' A' ' 628' ' ' LEU . 16.9 m-30 -75.97 -31.58 59.08 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.888 -0.597 . . . . 25.0 110.527 171.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.991 ' HB1' HD13 ' A' ' 607' ' ' LEU . . . -84.05 -32.28 24.93 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.282 -0.417 . . . . 25.0 111.706 177.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.67 -25.17 67.83 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 120.944 0.402 . . . . 25.0 111.18 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -85.35 -36.61 20.65 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.378 -0.828 . . . . 25.0 111.718 -176.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' A' ' 639' ' ' MET . 34.0 m -76.7 -25.96 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 112.075 0.398 . . . . 25.0 112.075 -175.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -81.78 -35.17 29.88 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.711 0.404 . . . . 25.0 111.372 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -84.33 -19.82 59.86 Favored Glycine 0 C--N 1.343 0.937 0 O-C-N 123.249 0.343 . . . . 25.0 113.584 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -87.52 -19.07 28.42 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.564 0.345 . . . . 25.0 111.302 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.634 ' SD ' ' HG ' ' A' ' 653' ' ' LEU . 65.1 mtt -78.61 -20.9 49.36 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -177.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 640' ' ' TYR . 0.0 OUTLIER -73.44 -25.43 60.51 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.767 0.427 . . . . 25.0 111.068 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.53 -24.0 23.03 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.075 -0.511 . . . . 25.0 111.831 178.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 87.1 p -95.78 -33.42 12.28 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.442 -0.345 . . . . 25.0 111.928 -176.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -91.13 146.0 24.21 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.192 0.307 . . . . 25.0 111.499 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -107.09 -18.26 13.95 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.038 -0.528 . . . . 25.0 111.162 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 80.1 p -131.98 161.48 33.03 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.407 -0.36 . . . . 25.0 110.717 -176.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 52.1 ptt85 -73.03 -22.17 60.68 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.862 -0.608 . . . . 25.0 111.727 -177.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -81.06 -27.75 35.59 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.276 0.36 . . . . 25.0 111.246 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -85.67 -41.69 14.95 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.623 0.369 . . . . 25.0 110.078 176.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -56.12 -48.79 75.52 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.374 0.669 . . . . 25.0 111.349 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -74.61 -16.81 60.78 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 177.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -84.71 -37.52 20.83 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.171 0.188 . . . . 25.0 111.293 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.28 -41.29 93.01 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.609 0.764 . . . . 25.0 112.384 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.634 ' HG ' ' SD ' ' A' ' 639' ' ' MET . 0.3 OUTLIER -71.92 -33.19 68.09 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.135 -0.484 . . . . 25.0 112.293 175.042 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.39 -29.72 57.23 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -77.32 -25.23 51.0 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -72.07 -31.18 65.87 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 109.144 -0.687 . . . . 25.0 109.144 169.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 7.8 mt -67.04 -36.26 76.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 114.647 -1.161 . . . . 25.0 111.21 -177.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 658' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 661' ' ' GLN . 21.1 m-30 -81.12 -28.67 35.06 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.538 0.524 . . . . 25.0 111.267 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -76.55 -22.0 54.92 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 116.317 -0.401 . . . . 25.0 111.161 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.526 HD13 HG12 ' A' ' 611' ' ' ILE . 63.8 mt -81.56 -22.52 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 173.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 661' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 658' ' ' TYR . 71.7 mt-30 -72.92 -38.0 67.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.089 -0.96 . . . . 25.0 112.274 176.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -64.15 -40.1 95.42 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.396 -0.82 . . . . 25.0 112.749 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -70.22 -40.79 74.31 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -175.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 99.7 mt -64.3 -18.58 64.74 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 173.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -74.17 -16.88 60.97 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.238 0.829 . . . . 25.0 113.238 -176.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -71.19 -26.08 62.8 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -84.57 -17.97 37.1 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.266 -0.425 . . . . 25.0 111.162 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -79.99 -22.5 42.45 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.734 -0.667 . . . . 25.0 111.316 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -91.17 -12.21 36.07 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.361 -0.381 . . . . 25.0 111.803 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 92.8 p -94.35 -27.13 16.25 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.258 0.466 . . . . 25.0 112.258 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -97.95 -13.13 21.33 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.224 0.327 . . . . 25.0 111.555 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 117.981 -1.009 . . . . 25.0 110.732 179.447 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.455 -0.258 . . . . 25.0 112.455 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 27.8 t -118.53 105.34 46.22 Favored Pre-proline 0 CA--C 1.544 0.729 0 O-C-N 123.613 0.243 . . . . 25.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -62.33 144.33 95.03 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 122.828 2.352 . . . . 25.0 113.245 177.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -161.1 165.48 35.33 Favored Glycine 0 C--N 1.338 0.648 0 CA-C-N 115.915 -0.584 . . . . 25.0 112.801 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -112.26 108.66 54.71 Favored Pre-proline 0 CA--C 1.544 0.728 0 CA-C-O 119.513 -0.279 . . . . 25.0 111.045 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -69.69 118.34 5.62 Favored 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.448 2.099 . . . . 25.0 112.789 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -131.13 -41.56 1.11 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.825 -0.625 . . . . 25.0 110.386 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -171.49 72.31 0.11 Allowed Glycine 0 C--N 1.339 0.724 0 CA-C-N 116.012 -0.54 . . . . 25.0 112.007 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 96.3 mt -110.47 -53.43 2.69 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.261 0.553 . . . . 25.0 110.714 -176.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 95.8 mt -95.33 -8.65 35.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.547 -1.206 . . . . 25.0 111.123 -177.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 94.5 p -132.88 25.36 4.31 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 115.74 -0.664 . . . . 25.0 111.564 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -114.72 -97.71 2.19 Favored Glycine 0 C--N 1.341 0.811 0 C-N-CA 121.243 -0.504 . . . . 25.0 112.565 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -138.24 -1.5 1.92 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 122.626 0.37 . . . . 25.0 111.483 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -96.62 -4.38 41.16 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.041 0.536 . . . . 25.0 112.348 -177.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.5 -36.16 57.94 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.13 -0.941 . . . . 25.0 111.246 -178.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -88.94 -11.78 43.46 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.253 0.345 . . . . 25.0 110.882 176.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 41.2 p -69.59 -18.69 63.64 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.017 -0.538 . . . . 25.0 111.508 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.6 p -89.35 -29.13 19.34 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.924 -0.58 . . . . 25.0 111.33 177.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 537' ' ' ILE . . . . . 0.439 HG22 HD21 ' A' ' 628' ' ' LEU . 80.2 mt -86.57 -29.94 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.465 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.77 -11.3 59.06 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.018 0.747 . . . . 25.0 113.018 -176.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -100.58 -11.03 20.41 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.674 -0.694 . . . . 25.0 109.855 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 81.0 mmm -93.72 -28.66 15.81 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.307 -0.86 . . . . 25.0 110.745 173.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -91.64 -19.53 22.59 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.595 -0.729 . . . . 25.0 111.731 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -74.93 -27.25 60.13 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.474 0.178 . . . . 25.0 111.136 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 84.6 p -81.7 -24.21 36.33 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.833 0.453 . . . . 25.0 111.386 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -79.94 -28.37 39.69 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.325 0.391 . . . . 25.0 111.398 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' A' ' 612' ' ' PHE . 96.0 mt -84.23 -20.64 31.94 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.811 -0.631 . . . . 25.0 111.153 174.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 546' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 546' ' ' LEU . 9.3 mt -76.78 -28.66 55.75 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.643 -0.708 . . . . 25.0 110.712 177.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.5 p -76.59 -15.75 59.76 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.573 -0.739 . . . . 25.0 111.991 175.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -71.95 -14.34 61.89 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.083 0.771 . . . . 25.0 113.083 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 42.9 pt -104.93 -27.92 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 112.21 0.448 . . . . 25.0 112.21 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 91.4 p -96.17 -35.54 11.27 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.556 -0.293 . . . . 25.0 111.726 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 59.7 p . . . . . 0 C--O 1.249 1.068 0 CA-C-O 117.995 -1.002 . . . . 25.0 110.903 179.832 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.512 -0.235 . . . . 25.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 63.6 t -90.36 136.18 24.57 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-O 120.912 0.387 . . . . 25.0 111.164 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -92.55 145.63 24.29 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.527 -0.76 . . . . 25.0 111.312 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -117.22 171.14 8.15 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.826 -0.625 . . . . 25.0 110.524 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -77.64 -17.44 78.9 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 115.766 -0.652 . . . . 25.0 114.687 -174.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 46.2 p-90 -63.41 -35.19 79.58 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.168 0.803 . . . . 25.0 113.168 -177.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -13.13 61.55 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.075 0.234 . . . . 25.0 111.555 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -83.33 -24.69 32.0 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.128 0.418 . . . . 25.0 112.128 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -112.29 -24.36 9.85 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.925 0.713 . . . . 25.0 112.925 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 89.9 t -79.07 124.02 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 70.3 p -113.61 -174.06 2.39 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.222 -0.899 . . . . 25.0 111.74 -177.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -74.95 -17.81 60.49 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.417 -0.81 . . . . 25.0 110.05 169.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -84.0 -36.59 23.04 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.547 -0.751 . . . . 25.0 111.466 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.99 -41.43 97.51 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.951 0.352 . . . . 25.0 111.951 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -64.25 -23.85 67.46 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 112.174 0.435 . . . . 25.0 112.174 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 86.2 p -84.46 -35.03 23.3 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.228 -0.442 . . . . 25.0 111.746 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -75.49 -34.2 60.84 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.787 0.435 . . . . 25.0 110.969 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.38 -25.54 66.01 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.314 0.646 . . . . 25.0 112.653 171.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 11.6 t -83.09 -27.84 7.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 115.756 -0.656 . . . . 25.0 110.171 172.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -78.13 -16.64 57.76 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.027 171.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -82.78 -29.67 29.46 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.038 -0.983 . . . . 25.0 108.762 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.46 HD23 ' HB1' ' A' ' 632' ' ' ALA . 23.1 tp -88.1 -38.74 15.15 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 113.114 -1.857 . . . . 25.0 111.905 -175.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 34.5 t -74.88 -22.08 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.26 0.624 . . . . 25.0 111.319 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -82.32 -25.89 33.51 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.663 0.268 . . . . 25.0 111.213 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -79.59 -22.42 43.76 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.743 -0.662 . . . . 25.0 111.47 174.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.417 ' CG1' HD13 ' A' ' 660' ' ' ILE . 87.3 mt -88.02 -59.44 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 109.745 -0.465 . . . . 25.0 109.745 177.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.448 ' CG ' HD13 ' B' ' 545' ' ' LEU . 80.1 t80 -139.64 102.39 7.15 Favored Pre-proline 0 CA--C 1.547 0.843 0 O-C-N 123.271 0.357 . . . . 25.0 110.442 176.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -82.55 140.83 10.81 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 122.183 1.922 . . . . 25.0 112.712 173.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.0 t -155.04 128.6 4.45 Favored Pre-proline 0 CA--C 1.544 0.745 0 CA-C-N 116.203 -0.453 . . . . 25.0 112.196 -177.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -50.48 -54.9 4.68 Favored 'Trans proline' 0 C--N 1.372 1.781 0 C-N-CA 124.074 3.182 . . . . 25.0 114.312 172.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.404 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 50.9 t0 -72.14 117.08 55.21 Favored Pre-proline 0 N--CA 1.473 0.688 0 CA-C-N 115.588 -0.733 . . . . 25.0 112.477 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 58.4 Cg_endo -65.4 -10.32 25.64 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.764 2.31 . . . . 25.0 113.989 173.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.31 -11.91 60.16 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.903 0.705 . . . . 25.0 112.903 -176.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.54 -16.08 46.85 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.007 0.373 . . . . 25.0 112.007 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.89 -1.92 57.76 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.115 -0.493 . . . . 25.0 112.04 -176.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -107.73 14.51 25.49 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.105 0.479 . . . . 25.0 110.491 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -82.72 162.7 21.69 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.854 -0.612 . . . . 25.0 110.869 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -78.39 -42.46 30.2 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.879 -0.6 . . . . 25.0 110.853 -176.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -74.21 -21.02 59.98 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 114.944 -1.025 . . . . 25.0 111.639 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 3.0 tpp -88.1 -37.26 16.38 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.388 -0.369 . . . . 25.0 111.05 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -56.86 -20.43 22.86 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 123.286 0.634 . . . . 25.0 112.364 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -69.56 -37.32 76.98 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.31 0.485 . . . . 25.0 112.31 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.505 HD21 HG22 ' B' ' 537' ' ' ILE . 23.2 mt -86.73 -28.4 23.09 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 121.271 -0.172 . . . . 25.0 110.761 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 54.5 t -56.88 -34.4 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 122.924 0.489 . . . . 25.0 109.858 171.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -83.46 -18.82 37.3 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.935 -1.03 . . . . 25.0 111.309 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.65 ' HE2' ' CD2' ' B' ' 534' ' ' PHE . 37.8 t80 -78.3 -35.68 47.5 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.528 -0.76 . . . . 25.0 110.383 174.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.46 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -83.2 -32.01 26.77 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.117 178.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -69.42 -19.3 63.79 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.721 -0.672 . . . . 25.0 110.631 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.83 -41.59 20.85 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.284 -0.871 . . . . 25.0 111.218 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 77.2 t -71.44 -43.84 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.02 0.378 . . . . 25.0 112.02 -174.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.458 ' HA ' ' CE ' ' A' ' 639' ' ' MET . 1.9 pp20? -54.01 -30.32 47.01 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.692 0.797 . . . . 25.0 112.197 -177.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 637' ' ' GLY . . . . . 0.431 ' O ' ' HD2' ' A' ' 640' ' ' TYR . . . -80.67 -19.62 67.83 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 116.308 -0.405 . . . . 25.0 113.419 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -85.45 -19.16 31.7 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.592 0.357 . . . . 25.0 111.802 178.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.661 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 68.3 mtm -70.87 -22.47 62.28 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 177.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.431 ' HD2' ' O ' ' A' ' 637' ' ' GLY . 0.0 OUTLIER -81.06 -29.85 34.91 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 116.492 -0.322 . . . . 25.0 111.14 -178.419 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -88.5 -21.71 24.02 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.267 -0.424 . . . . 25.0 111.818 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 78.2 p -94.65 -34.03 12.75 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.271 0.357 . . . . 25.0 111.871 -177.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -102.1 146.02 28.52 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.23 0.331 . . . . 25.0 111.726 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -114.03 -5.96 13.13 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.77 -0.65 . . . . 25.0 111.572 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 94.4 p -132.17 153.64 50.34 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.193 -0.458 . . . . 25.0 110.66 -177.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.547 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 0.2 OUTLIER -70.25 -24.35 63.06 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 -175.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 647' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 95.6 m-20 -81.47 -28.65 34.03 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 111.855 0.317 . . . . 25.0 111.855 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -86.02 -35.93 20.05 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.279 0.362 . . . . 25.0 110.382 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -60.36 -53.21 60.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.241 0.616 . . . . 25.0 111.036 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 646' ' ' ARG . 30.3 m-85 -71.49 -16.28 62.35 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 112.823 0.675 . . . . 25.0 112.823 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 651' ' ' HIS . . . . . 0.478 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 0.2 OUTLIER -84.83 -24.64 28.54 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.827 0.306 . . . . 25.0 111.827 -178.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 60.4 mt -73.89 -35.12 64.64 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.589 0.356 . . . . 25.0 111.903 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.661 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.9 OUTLIER -78.59 -30.61 46.77 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.729 174.896 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -78.58 -26.18 45.46 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.12 0.415 . . . . 25.0 112.12 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -78.25 -29.14 47.98 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 111.858 0.318 . . . . 25.0 111.858 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -70.51 -30.93 67.83 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 171.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 10.8 mt -68.6 -28.14 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 114.894 -1.048 . . . . 25.0 110.977 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -84.84 -32.89 23.02 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.3 -0.409 . . . . 25.0 110.785 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.592 ' HG2' ' HB3' ' B' ' 531' ' ' ASP . 56.7 tptt -75.88 -34.58 60.0 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.862 0.465 . . . . 25.0 112.156 -178.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.417 HD13 ' CG1' ' A' ' 611' ' ' ILE . 59.0 mt -68.33 -32.23 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-O 121.048 0.451 . . . . 25.0 109.79 175.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -75.64 -19.26 59.31 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.1 -0.954 . . . . 25.0 112.139 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -80.5 -41.35 24.43 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.567 0.347 . . . . 25.0 111.909 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -71.22 -42.39 69.0 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 122.878 0.471 . . . . 25.0 111.763 -176.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.48 -18.83 62.27 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.533 -0.758 . . . . 25.0 112.552 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.31 -32.4 73.78 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.723 0.409 . . . . 25.0 111.14 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -76.12 -22.91 54.97 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.541 0.336 . . . . 25.0 110.997 174.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -86.47 -17.22 34.75 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 115.591 -0.732 . . . . 25.0 110.793 174.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -84.91 -53.12 5.52 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.209 -0.45 . . . . 25.0 111.45 -176.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 47.1 mtm105 -92.21 -46.72 7.59 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.176 0.436 . . . . 25.0 112.176 -178.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.95 -21.84 24.66 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.31 0.485 . . . . 25.0 112.31 -176.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 69.35 -0.86 2.38 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.387 1.075 . . . . 25.0 112.521 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.02 -0.99 . . . . 25.0 110.807 178.048 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 112.462 -0.255 . . . . 25.0 112.462 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 41.5 t -103.99 130.19 23.86 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 122.304 0.242 . . . . 25.0 110.692 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -72.53 -19.14 25.13 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.535 2.157 . . . . 25.0 113.869 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 146.73 160.66 8.9 Favored Glycine 0 C--N 1.338 0.68 0 O-C-N 123.418 0.449 . . . . 25.0 112.585 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -106.15 129.89 23.83 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 122.296 0.238 . . . . 25.0 111.154 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 524' ' ' PRO . . . . . 0.422 ' HG2' HD11 ' B' ' 528' ' ' LEU . 53.0 Cg_endo -72.19 143.83 40.61 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.272 1.982 . . . . 25.0 113.185 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -107.99 134.69 50.54 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.813 -0.63 . . . . 25.0 110.445 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 129.36 51.22 0.12 Allowed Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.787 -0.642 . . . . 25.0 112.642 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 2.5 tt 60.87 118.05 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.316 1.046 . . . . 25.0 111.638 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 528' ' ' LEU . . . . . 0.422 HD11 ' HG2' ' B' ' 524' ' ' PRO . 98.0 mt -119.58 -4.16 10.33 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.565 -0.743 . . . . 25.0 110.408 175.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 90.4 p -163.94 -42.39 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.682 -0.69 . . . . 25.0 110.993 -178.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 145.77 70.48 0.02 OUTLIER Glycine 0 C--N 1.341 0.842 0 CA-C-N 116.045 -0.525 . . . . 25.0 112.582 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 531' ' ' ASP . . . . . 0.592 ' HB3' ' HG2' ' A' ' 659' ' ' LYS . 54.3 m-20 -124.52 -2.68 7.92 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.89 0.376 . . . . 25.0 111.038 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -99.66 -4.04 31.76 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.519 -0.764 . . . . 25.0 112.488 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -90.18 -20.93 22.48 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.219 -0.9 . . . . 25.0 111.407 -176.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 534' ' ' PHE . . . . . 0.65 ' CD2' ' HE2' ' A' ' 631' ' ' TYR . 95.4 m-85 -86.39 -15.02 41.71 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 123.136 0.272 . . . . 25.0 111.618 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 83.8 p -80.77 -26.56 37.16 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.733 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 65.8 p -90.33 -47.13 7.95 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.04 -0.527 . . . . 25.0 112.022 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 537' ' ' ILE . . . . . 0.505 HG22 HD21 ' A' ' 628' ' ' LEU . 17.4 mt -86.62 -41.19 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 -172.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 538' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' B' ' 534' ' ' PHE . . . -79.57 -10.64 59.83 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 112.743 0.646 . . . . 25.0 112.743 -174.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -100.2 -12.59 19.44 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.302 -0.863 . . . . 25.0 109.792 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 71.6 mtp -90.87 -27.37 18.84 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.854 -0.612 . . . . 25.0 111.169 171.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -89.85 -19.68 24.34 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.749 -0.659 . . . . 25.0 111.643 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -73.96 -24.4 59.63 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 111.646 0.239 . . . . 25.0 111.646 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.8 p -81.47 -23.57 37.34 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.806 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 544' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.08 -22.91 31.03 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.14 0.422 . . . . 25.0 112.14 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.448 HD13 ' CG ' ' A' ' 612' ' ' PHE . 46.1 mt -82.44 -14.75 54.59 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.411 0.522 . . . . 25.0 112.411 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 71.5 mt -80.94 -33.03 34.28 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.001 0.429 . . . . 25.0 110.716 176.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.6 p -76.5 -15.96 59.76 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.226 -0.897 . . . . 25.0 112.228 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 548' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 25.0 mm100 -73.5 -12.5 60.81 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 -176.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 41.0 pt -104.66 -8.47 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 112.314 0.487 . . . . 25.0 112.314 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 67.2 p -99.35 -36.2 9.68 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.383 -0.371 . . . . 25.0 111.214 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 40.2 t . . . . . 0 C--O 1.253 1.26 0 CA-C-O 118.744 -0.646 . . . . 25.0 110.984 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 112.419 -0.272 . . . . 25.0 112.419 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 57.0 t -90.36 138.66 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 109.938 -0.393 . . . . 25.0 109.938 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -92.68 122.8 35.45 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.858 -0.61 . . . . 25.0 110.755 -175.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.654 ' CD ' ' HE1' ' A' ' 591' ' ' TRP . 98.2 mttt -141.3 156.8 45.82 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.665 -0.698 . . . . 25.0 111.259 -176.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -80.12 -20.54 67.22 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 115.349 -0.841 . . . . 25.0 113.935 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.654 ' HE1' ' CD ' ' A' ' 589' ' ' LYS . 8.7 p-90 -85.06 -36.39 21.25 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.996 0.398 . . . . 25.0 111.394 177.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -65.67 -34.96 79.42 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.249 0.62 . . . . 25.0 111.568 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -86.17 -18.97 30.81 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.333 0.396 . . . . 25.0 111.583 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -88.61 -26.45 21.9 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.802 -0.636 . . . . 25.0 111.121 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.471 HG13 HD23 ' A' ' 599' ' ' LEU . 31.2 t -85.89 132.2 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 53.3 p -108.59 -176.18 2.97 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.874 -0.603 . . . . 25.0 112.073 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -79.51 -18.1 52.65 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.235 -0.893 . . . . 25.0 110.146 171.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -82.49 -26.54 32.48 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-N 115.571 -0.74 . . . . 25.0 111.598 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.471 HD23 HG13 ' A' ' 595' ' ' VAL . 44.4 tp -65.71 -50.57 64.38 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 122.877 0.11 . . . . 25.0 111.242 172.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -57.77 -23.35 51.77 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.746 0.646 . . . . 25.0 112.746 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.8 p -84.24 -32.61 24.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.331 -0.395 . . . . 25.0 111.342 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -79.55 -23.28 42.94 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.891 0.476 . . . . 25.0 110.736 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -32.54 64.95 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.901 0.88 . . . . 25.0 110.367 174.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 40.8 t -83.33 -34.38 10.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-N 114.827 -1.079 . . . . 25.0 110.666 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -72.24 -17.77 61.88 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.377 0.423 . . . . 25.0 110.521 176.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -85.76 -22.4 27.75 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.554 -0.748 . . . . 25.0 109.422 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.622 HD23 ' HB1' ' A' ' 632' ' ' ALA . 2.4 tp -86.05 -37.93 18.38 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 114.449 -1.25 . . . . 25.0 111.254 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 40.6 t -70.23 -25.25 27.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 C-N-CA 123.493 0.717 . . . . 25.0 111.372 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -79.66 -36.59 37.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.062 0.458 . . . . 25.0 110.543 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -69.67 -21.9 63.48 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.02 -0.991 . . . . 25.0 112.148 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.401 ' CG1' HD13 ' A' ' 660' ' ' ILE . 76.6 mt -96.96 -59.33 3.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.224 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -144.84 104.14 4.51 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-O 119.578 -0.249 . . . . 25.0 110.794 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.2 133.03 10.66 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 122.391 2.061 . . . . 25.0 112.46 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 14.8 m -143.44 123.82 7.86 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -50.97 -52.85 8.22 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 124.174 3.249 . . . . 25.0 114.297 171.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -80.9 122.42 81.93 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.413 -0.812 . . . . 25.0 112.465 -175.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -64.08 -10.4 23.06 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 123.038 2.492 . . . . 25.0 113.937 172.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -71.7 -28.89 64.01 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.397 0.517 . . . . 25.0 112.397 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -86.06 -15.24 41.93 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.302 -0.408 . . . . 25.0 111.457 176.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.445 ' HA ' ' HG2' ' A' ' 625' ' ' MET . 83.0 mt -91.39 -21.98 20.71 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.677 -0.692 . . . . 25.0 110.916 -176.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -104.28 14.9 29.42 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 120.916 0.388 . . . . 25.0 110.918 -178.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -83.86 167.34 17.13 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.999 -0.546 . . . . 25.0 111.592 -175.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 92.5 mtm-85 -61.75 -54.8 37.54 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.215 0.606 . . . . 25.0 112.189 -177.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -20.3 65.99 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.27 0.628 . . . . 25.0 112.68 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.445 ' HG2' ' HA ' ' A' ' 620' ' ' LEU . 37.5 tpp -88.76 -39.64 13.78 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.081 0.238 . . . . 25.0 111.437 -177.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -54.14 -20.4 6.63 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 112.83 0.678 . . . . 25.0 112.83 -177.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -68.48 -36.79 79.45 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.518 0.327 . . . . 25.0 111.63 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.521 HD21 HG22 ' B' ' 537' ' ' ILE . 13.3 mt -86.97 -33.53 19.61 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 123.306 0.379 . . . . 25.0 110.862 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.415 HG12 ' HD2' ' A' ' 633' ' ' LYS . 73.3 t -56.28 -37.31 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 122.738 0.415 . . . . 25.0 110.004 172.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.594 ' HA ' ' HB2' ' A' ' 633' ' ' LYS . . . -80.67 -18.68 47.24 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.974 -1.012 . . . . 25.0 111.348 177.206 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.555 ' OH ' ' HB3' ' B' ' 533' ' ' ASP . 37.8 t80 -75.13 -35.82 61.65 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.488 -0.778 . . . . 25.0 110.603 175.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.622 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -84.33 -31.34 24.87 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.964 -0.562 . . . . 25.0 111.056 175.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.594 ' HB2' ' HA ' ' A' ' 630' ' ' ALA . 65.3 mttt -64.96 -19.16 65.83 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.816 -0.629 . . . . 25.0 110.315 171.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 631' ' ' TYR . 62.4 tttm -76.11 -53.79 7.79 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.722 -1.126 . . . . 25.0 111.12 176.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 632' ' ' ALA . 15.8 m -76.16 -23.83 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 115.504 -0.771 . . . . 25.0 112.596 -166.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.473 ' HA ' ' HE2' ' A' ' 639' ' ' MET . 3.0 pp20? -69.75 -34.91 74.45 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.044 0.537 . . . . 25.0 111.081 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -82.23 -20.65 62.2 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 116.169 -0.469 . . . . 25.0 113.617 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -82.08 -18.66 42.27 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.48 0.312 . . . . 25.0 111.551 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.521 ' HE1' HD22 ' A' ' 653' ' ' LEU . 26.9 mtm -73.31 -21.04 60.66 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.37 -0.377 . . . . 25.0 111.662 178.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -75.01 -31.71 61.46 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.317 0.647 . . . . 25.0 111.709 -176.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -88.55 -23.89 23.04 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.203 -0.453 . . . . 25.0 112.007 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 76.5 p -90.37 -36.36 14.67 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.009 0.374 . . . . 25.0 112.009 -176.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.72 156.23 18.23 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.67 0.388 . . . . 25.0 111.928 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -113.02 -18.99 12.06 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.881 -0.599 . . . . 25.0 111.718 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.3 p -132.6 157.7 44.08 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.244 -0.435 . . . . 25.0 110.475 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -73.31 -17.31 61.32 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -80.92 -28.23 35.87 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.316 0.385 . . . . 25.0 110.693 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -86.28 -42.45 13.74 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.271 -0.422 . . . . 25.0 110.294 176.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -56.17 -47.59 77.97 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.975 0.91 . . . . 25.0 111.894 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -69.2 -15.85 63.48 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.147 -0.479 . . . . 25.0 112.219 176.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.24 -24.18 30.12 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 -174.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.467 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 91.7 mt -72.94 -27.17 61.68 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 118.132 0.424 . . . . 25.0 111.572 176.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.521 HD22 ' HE1' ' A' ' 639' ' ' MET . 4.0 tp -87.24 -32.84 19.53 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.324 0.39 . . . . 25.0 111.428 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -74.22 -27.14 60.64 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.794 0.437 . . . . 25.0 112.007 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -78.42 -27.8 46.68 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.11 0.256 . . . . 25.0 111.682 177.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.427 ' HD3' ' CZ ' ' B' ' 534' ' ' PHE . 69.0 mttm -71.17 -30.29 66.25 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 170.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 23.2 mt -67.95 -28.79 42.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.029 -0.987 . . . . 25.0 111.047 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -84.48 -33.83 23.51 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.266 -0.424 . . . . 25.0 110.728 178.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -76.76 -32.0 57.43 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.515 0.509 . . . . 25.0 112.156 -178.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.401 HD13 ' CG1' ' A' ' 611' ' ' ILE . 53.3 mt -68.72 -31.34 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.619 -0.512 . . . . 25.0 109.619 174.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -74.55 -19.56 60.29 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.304 -0.862 . . . . 25.0 112.296 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -78.66 -40.52 33.87 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.595 0.358 . . . . 25.0 111.412 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -67.42 -42.9 82.46 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.453 0.701 . . . . 25.0 111.931 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -73.94 -18.48 60.88 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.366 0.506 . . . . 25.0 112.366 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -64.79 -20.6 66.46 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 122.988 0.515 . . . . 25.0 112.293 -177.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -80.55 -21.36 41.82 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 120.474 0.178 . . . . 25.0 111.169 175.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -86.08 -18.17 33.14 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.064 -0.516 . . . . 25.0 110.663 174.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -86.35 -23.11 26.33 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.779 -0.646 . . . . 25.0 111.382 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -91.12 -15.03 30.09 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.22 -0.445 . . . . 25.0 111.913 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 95.0 p -84.72 -25.32 28.42 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 122.662 0.385 . . . . 25.0 111.909 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 86.0 mtt85 -124.73 77.66 1.62 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.107 0.479 . . . . 25.0 110.23 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 17.5 tp . . . . . 0 N--CA 1.486 1.333 0 C-N-CA 125.099 1.36 . . . . 25.0 114.367 -178.362 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 112.497 -0.241 . . . . 25.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 18.4 t -108.17 130.35 22.9 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-O 119.481 -0.295 . . . . 25.0 111.126 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.65 142.67 36.42 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.398 2.065 . . . . 25.0 113.349 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -138.25 -103.2 0.6 Allowed Glycine 0 C--N 1.337 0.629 0 CA-C-N 115.782 -0.645 . . . . 25.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -103.65 115.15 64.04 Favored Pre-proline 0 CA--C 1.548 0.893 0 CA-C-O 119.577 -0.249 . . . . 25.0 111.232 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.97 143.67 95.56 Favored 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 122.653 2.235 . . . . 25.0 113.209 177.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -119.0 -36.49 3.4 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.82 -0.627 . . . . 25.0 111.278 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 156.85 -121.85 1.12 Allowed Glycine 0 C--N 1.34 0.802 0 O-C-N 123.391 0.432 . . . . 25.0 112.501 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 84.9 mt -114.41 18.55 16.81 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.823 0.345 . . . . 25.0 111.257 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 16.8 mt -74.39 14.39 0.46 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -174.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 74.9 p -136.87 7.91 2.99 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.317 -0.401 . . . . 25.0 111.557 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -101.91 -63.26 0.75 Allowed Glycine 0 C--N 1.342 0.87 0 CA-C-N 116.413 -0.358 . . . . 25.0 113.072 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -113.54 -1.84 14.0 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.963 0.411 . . . . 25.0 111.372 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -102.71 -3.7 26.14 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.393 -0.821 . . . . 25.0 112.496 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 533' ' ' ASP . . . . . 0.555 ' HB3' ' OH ' ' A' ' 631' ' ' TYR . 11.5 m-20 -87.49 -19.39 28.02 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.541 -0.754 . . . . 25.0 111.535 -175.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 534' ' ' PHE . . . . . 0.534 ' CD2' ' HE2' ' A' ' 631' ' ' TYR . 96.9 m-85 -87.58 -12.34 45.99 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.787 0.327 . . . . 25.0 111.669 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 86.2 p -82.33 -38.05 24.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.885 -0.598 . . . . 25.0 111.837 -176.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 29.8 m -90.09 -41.9 11.41 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.314 0.487 . . . . 25.0 112.314 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 537' ' ' ILE . . . . . 0.521 HG22 HD21 ' A' ' 628' ' ' LEU . 78.2 mt -81.67 -38.49 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -171.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.41 -11.0 59.41 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.774 0.657 . . . . 25.0 112.774 -175.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -101.88 -9.34 20.81 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.513 -0.767 . . . . 25.0 110.137 174.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 73.3 mtp -95.12 -29.02 14.78 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.764 -0.653 . . . . 25.0 111.233 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -90.76 -21.03 21.75 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.796 -0.638 . . . . 25.0 111.506 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -71.97 -24.64 61.63 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 111.86 0.319 . . . . 25.0 111.86 -176.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 79.9 p -81.51 -37.35 28.0 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.046 0.387 . . . . 25.0 112.046 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.0 -21.88 31.55 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.235 -0.438 . . . . 25.0 111.66 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 39.8 mt -84.37 -14.94 48.11 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.71 -0.677 . . . . 25.0 111.643 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 56.7 mt -82.0 -28.27 32.68 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 121.256 0.55 . . . . 25.0 110.108 168.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 6.1 p -71.84 -16.08 62.15 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.618 -1.173 . . . . 25.0 112.595 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -79.06 -11.51 60.0 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.08 0.4 . . . . 25.0 112.08 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 94.2 mt -97.06 -32.58 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 116.069 -0.514 . . . . 25.0 110.289 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 66.3 p -94.67 -32.79 13.22 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.379 -0.373 . . . . 25.0 111.612 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 N--CA 1.483 1.221 0 C-N-CA 124.131 0.973 . . . . 25.0 111.983 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.551 -0.22 . . . . 25.0 112.551 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 95.1 t -90.3 143.21 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 109.921 -0.399 . . . . 25.0 109.921 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -92.17 124.15 36.04 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.028 -0.533 . . . . 25.0 110.656 -176.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -127.44 132.2 50.1 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.13 -0.487 . . . . 25.0 111.146 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -80.37 -21.89 63.77 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-N 115.813 -0.63 . . . . 25.0 113.633 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -84.31 -24.75 29.69 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.76 0.424 . . . . 25.0 112.026 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -74.7 -13.25 60.59 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 116.251 -0.432 . . . . 25.0 111.266 175.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -83.72 -30.46 26.69 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.375 0.509 . . . . 25.0 112.375 -177.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -103.47 -22.64 13.61 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.406 ' HA ' HD12 ' A' ' 599' ' ' LEU . 77.7 t -81.16 128.37 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 120.834 0.349 . . . . 25.0 110.105 178.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 53.3 p -111.13 -175.13 2.63 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.536 -0.757 . . . . 25.0 111.546 -177.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -69.6 -18.81 63.65 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.393 -0.821 . . . . 25.0 110.381 168.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -82.49 -37.5 25.23 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 115.829 -0.623 . . . . 25.0 112.299 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 595' ' ' VAL . 7.8 mt -60.31 -47.54 85.58 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 111.967 0.358 . . . . 25.0 111.967 175.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -60.36 -30.01 69.29 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.972 0.509 . . . . 25.0 111.782 -175.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.7 p -76.97 -27.3 54.71 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.524 -0.762 . . . . 25.0 111.548 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 602' ' ' HIS . . . . . 0.458 ' HA ' ' HB2' ' A' ' 605' ' ' HIS . 61.5 m170 -85.92 -21.4 27.97 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.663 0.385 . . . . 25.0 110.575 176.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 60.9 mt -76.29 -34.47 59.08 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.69 -0.686 . . . . 25.0 109.695 172.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 39.7 t -73.7 -35.01 42.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 115.134 -0.939 . . . . 25.0 110.819 172.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.458 ' HB2' ' HA ' ' A' ' 602' ' ' HIS . 6.8 m80 -74.47 -17.19 60.81 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.407 0.283 . . . . 25.0 110.919 177.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -85.18 -25.52 27.34 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.985 0.898 . . . . 25.0 109.017 174.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.8 mt -86.54 -43.63 12.57 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 113.328 -1.76 . . . . 25.0 111.322 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 78.7 t -70.4 -25.6 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.614 0.766 . . . . 25.0 111.35 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -84.82 -29.14 25.62 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.519 0.2 . . . . 25.0 111.333 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -71.39 -33.67 69.7 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.044 173.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.519 HG12 HG21 ' A' ' 660' ' ' ILE . 97.0 mt -76.54 -52.37 17.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 115.801 -0.636 . . . . 25.0 109.34 174.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -143.95 116.03 5.64 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 116.37 -0.377 . . . . 25.0 110.661 172.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.11 125.36 11.87 Favored 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.214 1.942 . . . . 25.0 112.375 175.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 77.0 p -100.48 113.52 65.51 Favored Pre-proline 0 CA--C 1.535 0.369 0 N-CA-C 112.899 0.703 . . . . 25.0 112.899 -175.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -62.24 -51.93 3.11 Favored 'Trans proline' 0 C--N 1.368 1.587 0 C-N-CA 123.4 2.733 . . . . 25.0 112.493 166.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -106.42 123.13 39.81 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 114.726 -1.124 . . . . 25.0 111.441 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -61.6 -10.14 15.66 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 123.043 2.495 . . . . 25.0 113.966 173.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.12 -8.14 56.99 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.631 0.604 . . . . 25.0 112.631 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -80.48 -9.25 59.77 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.054 0.391 . . . . 25.0 112.054 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 81.4 mt -84.74 0.4 50.69 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.996 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -105.5 14.44 28.62 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 121.031 0.443 . . . . 25.0 110.564 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -89.42 157.15 18.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.853 -0.612 . . . . 25.0 110.843 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 14.9 mmp_? -79.4 -38.43 34.86 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.484 -0.78 . . . . 25.0 110.855 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 -69.7 -27.27 64.86 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.954 -1.021 . . . . 25.0 112.421 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 54.3 ttm -90.03 -37.48 14.27 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 123.283 0.364 . . . . 25.0 111.485 -177.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -56.09 -21.55 22.78 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.308 0.643 . . . . 25.0 112.679 -177.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -73.21 -34.53 65.98 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.081 0.4 . . . . 25.0 112.081 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.414 HD21 HG22 ' B' ' 537' ' ' ILE . 94.5 mt -86.29 -31.56 21.55 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 123.14 0.275 . . . . 25.0 110.44 178.149 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.6 -34.51 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.062 0.545 . . . . 25.0 110.292 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -78.8 -18.88 53.38 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.213 -0.903 . . . . 25.0 111.795 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -78.68 -37.6 41.36 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.11 -0.495 . . . . 25.0 110.138 172.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.404 ' HA ' ' HB ' ' A' ' 635' ' ' VAL . . . -79.22 -33.64 43.54 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.519 0.512 . . . . 25.0 111.845 -177.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -64.99 -30.42 71.41 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.208 0.603 . . . . 25.0 111.689 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.407 ' HE3' ' OD2' ' A' ' 638' ' ' ASP . 47.4 tptt -82.95 -31.4 27.69 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.412 -0.813 . . . . 25.0 110.245 174.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' A' ' 632' ' ' ALA . 1.2 t -73.15 -21.26 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 115.027 -0.988 . . . . 25.0 112.505 -173.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -82.31 -30.77 30.31 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 122.437 0.295 . . . . 25.0 110.726 176.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -81.25 -27.76 47.46 Favored Glycine 0 C--N 1.346 1.097 0 N-CA-C 114.506 0.562 . . . . 25.0 114.506 -173.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 638' ' ' ASP . . . . . 0.407 ' OD2' ' HE3' ' A' ' 634' ' ' LYS . 97.1 m-20 -72.89 -18.85 61.38 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 117.003 0.402 . . . . 25.0 112.015 179.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.551 ' SD ' ' HB3' ' A' ' 653' ' ' LEU . 61.4 mtt -75.73 -20.52 58.28 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.945 -0.571 . . . . 25.0 112.467 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.597 ' CE2' ' HG3' ' A' ' 641' ' ' GLU . 0.0 OUTLIER -74.51 -28.91 61.2 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.162 -0.472 . . . . 25.0 111.552 -177.626 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.597 ' HG3' ' CE2' ' A' ' 640' ' ' TYR . 92.9 mt-10 -88.9 -21.81 23.44 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.165 -0.47 . . . . 25.0 112.029 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 34.7 m -92.47 -45.33 8.2 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -175.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -83.09 147.98 27.79 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.805 0.298 . . . . 25.0 111.805 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -105.74 -17.77 14.28 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.896 -0.593 . . . . 25.0 111.468 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 79.8 p -131.76 163.33 28.44 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.666 0.27 . . . . 25.0 110.917 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -72.92 -29.47 63.14 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.962 -175.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -81.37 -23.97 37.33 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.511 0.324 . . . . 25.0 111.871 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -85.56 -38.8 18.09 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.819 -0.437 . . . . 25.0 109.819 176.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 649' ' ' TYR . . . . . 0.46 ' HD2' ' CE2' ' A' ' 650' ' ' TYR . 71.4 t80 -55.26 -49.2 72.64 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.808 0.843 . . . . 25.0 111.78 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.577 ' HA ' HD23 ' A' ' 653' ' ' LEU . 21.2 m-30 -68.96 -15.92 63.61 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.66 0.615 . . . . 25.0 112.66 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.2 -24.75 34.76 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.687 0.625 . . . . 25.0 112.687 -174.073 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 95.0 mt -71.84 -31.67 66.74 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.006 0.372 . . . . 25.0 112.006 176.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.577 HD23 ' HA ' ' A' ' 650' ' ' TYR . 0.3 OUTLIER -86.08 -31.25 22.01 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.439 0.296 . . . . 25.0 111.639 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.464 ' N ' ' HG ' ' A' ' 653' ' ' LEU . . . -72.35 -28.65 63.18 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.716 0.406 . . . . 25.0 111.957 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 659' ' ' LYS . 95.7 mt-10 -78.81 -26.0 44.24 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.057 0.391 . . . . 25.0 112.057 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.4 ' HG3' ' CD1' ' A' ' 660' ' ' ILE . 50.9 tptt -74.03 -29.48 61.95 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 109.326 -0.62 . . . . 25.0 109.326 169.149 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 7.8 mt -68.84 -38.93 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.61 -0.723 . . . . 25.0 111.061 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -84.21 -26.15 28.94 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.942 0.401 . . . . 25.0 110.446 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 655' ' ' GLU . 81.7 mttt -79.35 -29.5 42.26 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.251 -0.886 . . . . 25.0 112.043 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.519 HG21 HG12 ' A' ' 611' ' ' ILE . 62.0 mt -80.2 -23.55 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 121.043 0.449 . . . . 25.0 110.059 175.281 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -70.45 -19.2 62.98 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.956 174.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -74.74 -41.91 59.25 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.904 0.482 . . . . 25.0 111.956 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -70.43 -46.75 63.29 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.376 0.671 . . . . 25.0 112.686 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.5 -21.44 60.15 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 112.303 0.482 . . . . 25.0 112.303 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -86.43 -18.78 30.86 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 122.556 0.342 . . . . 25.0 111.02 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -76.14 -26.2 56.08 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.244 0.34 . . . . 25.0 111.278 177.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -86.15 -18.2 32.9 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.991 -0.55 . . . . 25.0 111.284 176.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -79.83 -33.4 40.3 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.235 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 87.3 mtm-85 -91.49 -8.62 47.12 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.296 -0.411 . . . . 25.0 111.319 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 91.8 p -90.12 -32.02 16.85 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.984 0.365 . . . . 25.0 111.984 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -100.7 -8.61 22.65 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 123.137 0.273 . . . . 25.0 111.516 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 117.953 -1.022 . . . . 25.0 110.745 178.668 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.506 -0.238 . . . . 25.0 112.506 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 11.8 t -123.55 131.23 24.28 Favored Pre-proline 0 CA--C 1.541 0.608 0 O-C-N 123.653 0.266 . . . . 25.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -72.68 -20.1 23.46 Favored 'Trans proline' 0 C--N 1.376 2.023 0 C-N-CA 122.401 2.067 . . . . 25.0 114.322 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 112.93 125.35 4.38 Favored Glycine 0 C--N 1.341 0.851 0 O-C-N 123.369 0.418 . . . . 25.0 112.792 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -129.28 90.63 44.2 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 122.363 0.265 . . . . 25.0 110.748 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.12 105.44 1.96 Allowed 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.552 2.168 . . . . 25.0 112.776 178.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -136.23 141.59 43.98 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.711 -0.677 . . . . 25.0 110.887 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 155.38 80.09 0.03 OUTLIER Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.931 -0.577 . . . . 25.0 112.623 179.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 92.4 mt -108.67 -154.96 0.54 Allowed 'General case' 0 CA--C 1.538 0.506 0 O-C-N 123.655 0.268 . . . . 25.0 110.81 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 94.4 mt 51.6 58.03 5.92 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 124.455 1.102 . . . . 25.0 110.085 -172.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 34.4 t 58.27 96.93 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 113.98 -1.464 . . . . 25.0 111.854 -178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -150.97 -46.03 0.02 OUTLIER Glycine 0 C--N 1.337 0.601 0 CA-C-N 115.224 -0.898 . . . . 25.0 112.494 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -122.0 -6.86 8.95 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.99 0.424 . . . . 25.0 110.85 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -101.53 -4.08 27.35 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.365 -0.834 . . . . 25.0 112.249 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -86.24 -9.79 55.84 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.025 -0.989 . . . . 25.0 111.583 -176.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -83.53 -15.12 50.52 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 111.951 0.352 . . . . 25.0 111.951 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 96.9 p -80.7 -23.47 39.5 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.913 -0.585 . . . . 25.0 110.908 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 89.7 p -90.43 -41.57 11.38 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.98 -0.554 . . . . 25.0 112.21 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 537' ' ' ILE . . . . . 0.414 HG22 HD21 ' A' ' 628' ' ' LEU . 96.0 mt -85.96 -43.34 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 111.798 0.296 . . . . 25.0 111.798 -173.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -77.9 -10.47 59.59 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.453 0.538 . . . . 25.0 112.453 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -101.1 -7.11 23.49 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.336 -0.847 . . . . 25.0 110.138 175.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 57.7 ttm -95.79 -30.54 13.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.961 -0.563 . . . . 25.0 111.158 171.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 541' ' ' ASP . . . . . 0.506 ' O ' ' HB2' ' B' ' 545' ' ' LEU . 28.4 m-20 -88.79 -19.51 25.9 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.977 -0.556 . . . . 25.0 112.338 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -75.51 -21.22 58.17 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 111.916 0.339 . . . . 25.0 111.916 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 88.5 p -81.58 -37.18 28.1 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.06 0.393 . . . . 25.0 112.06 -177.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -81.81 -21.63 37.55 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.804 0.442 . . . . 25.0 111.196 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' B' ' 541' ' ' ASP . 1.5 mp -77.89 -18.59 56.0 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 115.356 -0.838 . . . . 25.0 111.703 -178.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 69.7 mt -87.91 -28.04 21.78 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.984 0.421 . . . . 25.0 111.181 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 77.2 p -74.64 -16.57 60.77 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.33 -0.85 . . . . 25.0 112.4 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -88.51 -14.83 36.82 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -178.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 74.5 mt -105.08 -25.54 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 116.027 -0.533 . . . . 25.0 112.05 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 93.3 p -97.88 -39.46 8.98 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.199 0.312 . . . . 25.0 111.359 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 117.915 -1.04 . . . . 25.0 110.924 -179.924 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.589 -0.204 . . . . 25.0 112.589 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 90.5 t -90.42 135.36 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 110.085 -0.339 . . . . 25.0 110.085 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -91.08 124.85 35.62 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.981 -0.554 . . . . 25.0 110.568 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -114.24 125.01 53.43 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.769 -0.65 . . . . 25.0 111.358 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -82.25 -26.5 47.75 Favored Glycine 0 C--N 1.34 0.766 0 CA-C-N 115.555 -0.748 . . . . 25.0 113.017 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -84.51 -31.56 24.4 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.149 0.58 . . . . 25.0 112.285 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -67.47 -32.19 72.86 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.428 0.291 . . . . 25.0 111.614 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -87.99 -10.68 49.67 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.285 0.366 . . . . 25.0 111.486 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -103.06 -26.71 12.95 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.916 -0.584 . . . . 25.0 111.462 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.449 HG22 HD12 ' A' ' 599' ' ' LEU . 21.4 t -85.01 127.23 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 178.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 64.0 p -104.63 175.54 5.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.784 -0.644 . . . . 25.0 111.851 -176.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -66.2 -18.94 65.66 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.039 -0.982 . . . . 25.0 110.046 166.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -82.07 -30.97 31.04 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.938 -0.573 . . . . 25.0 111.926 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.449 HD12 HG22 ' A' ' 595' ' ' VAL . 9.7 mt -67.25 -44.66 78.87 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 117.593 0.179 . . . . 25.0 111.252 174.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -53.83 -32.45 52.91 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.923 0.392 . . . . 25.0 111.18 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 66.1 p -85.04 -30.93 23.72 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.142 -0.935 . . . . 25.0 111.96 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -77.8 -36.17 50.64 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.6 0.36 . . . . 25.0 111.651 -176.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 607' ' ' LEU . 86.2 mt -63.46 -29.91 71.12 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 122.988 0.515 . . . . 25.0 111.838 172.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 82.4 t -82.3 -26.78 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 CA-C-N 115.472 -0.785 . . . . 25.0 110.174 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -83.71 -18.39 38.07 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.241 -0.436 . . . . 25.0 110.307 173.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -86.15 -21.9 27.31 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.404 -0.816 . . . . 25.0 109.25 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.594 HD23 ' HB1' ' A' ' 632' ' ' ALA . 1.1 tp -86.73 -49.12 7.69 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 114.285 -1.325 . . . . 25.0 111.709 -178.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.63 -25.55 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.298 0.639 . . . . 25.0 111.682 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -83.16 -29.31 28.72 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 120.527 0.203 . . . . 25.0 111.284 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.65 -32.28 53.16 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.912 -0.586 . . . . 25.0 111.53 176.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.674 HG12 HG21 ' A' ' 660' ' ' ILE . 87.1 mt -78.78 -55.65 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 116.282 -0.417 . . . . 25.0 110.012 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' B' ' 545' ' ' LEU . 59.7 t80 -138.01 103.54 8.18 Favored Pre-proline 0 CA--C 1.549 0.917 0 O-C-N 123.236 0.335 . . . . 25.0 110.506 175.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -79.06 135.56 12.41 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.509 2.139 . . . . 25.0 112.549 173.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 2.5 t -151.99 127.54 4.94 Favored Pre-proline 0 CA--C 1.544 0.739 0 CA-C-N 116.407 -0.36 . . . . 25.0 111.909 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -49.1 -55.02 4.55 Favored 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 124.065 3.176 . . . . 25.0 114.533 173.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -73.65 116.38 51.13 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.514 -176.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -66.43 -10.53 28.03 Favored 'Trans proline' 0 C--N 1.375 1.933 0 C-N-CA 122.775 2.316 . . . . 25.0 113.814 173.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -72.74 -11.98 60.83 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -178.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.07 -14.97 52.73 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.696 0.398 . . . . 25.0 111.848 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 88.8 mt -83.34 -6.89 59.61 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.062 -0.517 . . . . 25.0 112.182 -176.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -106.43 14.91 26.66 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.108 0.48 . . . . 25.0 110.544 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -79.4 165.44 23.1 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.859 -0.61 . . . . 25.0 111.297 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 96.6 mtm-85 -72.31 -54.68 8.81 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 122.848 0.459 . . . . 25.0 111.67 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.493 HH11 ' HB2' ' B' ' 544' ' ' ALA . 95.7 mtt180 -69.07 -27.03 65.27 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.883 0.697 . . . . 25.0 112.883 -177.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -78.52 -38.83 39.73 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 111.636 0.236 . . . . 25.0 111.636 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.87 -20.03 20.85 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.103 0.561 . . . . 25.0 112.124 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -71.85 -35.96 70.01 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.9 0.48 . . . . 25.0 111.913 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.51 HD11 ' CB ' ' B' ' 541' ' ' ASP . 0.6 OUTLIER -86.47 -28.83 23.23 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 110.495 -0.187 . . . . 25.0 110.495 178.396 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.47 -32.76 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.013 0.525 . . . . 25.0 109.968 170.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -82.11 -18.94 41.23 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.786 -1.097 . . . . 25.0 111.454 177.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.47 ' CD1' ' HA ' ' A' ' 628' ' ' LEU . 12.3 m-30 -75.93 -37.12 59.05 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.769 -0.651 . . . . 25.0 110.982 173.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.594 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -84.71 -24.43 28.92 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.255 0.347 . . . . 25.0 111.485 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -66.41 -31.22 71.85 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.193 0.597 . . . . 25.0 112.142 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -87.22 -24.62 24.36 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.826 1.047 . . . . 25.0 113.826 -177.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 5.1 t -69.49 -51.68 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 112.963 0.727 . . . . 25.0 112.963 -170.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -63.84 -20.42 65.79 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.887 0.699 . . . . 25.0 112.887 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -76.52 -24.98 66.49 Favored Glycine 0 C--N 1.343 0.96 0 O-C-N 123.276 0.36 . . . . 25.0 112.76 174.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -87.5 -19.45 27.92 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.889 0.476 . . . . 25.0 110.651 176.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.421 ' HB3' ' HE3' ' A' ' 639' ' ' MET . 4.3 mtp -70.68 -22.27 62.49 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.189 0.596 . . . . 25.0 112.232 178.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -73.99 -30.81 62.67 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.116 0.567 . . . . 25.0 111.57 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -88.58 -24.58 22.82 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.921 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 52.1 m -92.45 -35.28 13.74 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.131 0.419 . . . . 25.0 112.131 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -94.99 138.61 32.49 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.132 0.27 . . . . 25.0 111.408 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -107.69 -9.32 15.86 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.941 -0.572 . . . . 25.0 111.87 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 6.6 p -132.97 156.33 47.49 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.227 -0.442 . . . . 25.0 110.452 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 54.0 ptt85 -76.35 -18.32 58.96 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.888 -0.596 . . . . 25.0 111.555 -177.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -80.88 -25.29 37.71 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.332 0.395 . . . . 25.0 111.206 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -86.75 -45.27 11.09 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.011 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -53.9 -52.43 60.53 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.561 0.744 . . . . 25.0 111.4 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -72.06 -15.88 62.02 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.109 0.781 . . . . 25.0 113.109 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -83.1 -40.9 19.23 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 122.992 0.182 . . . . 25.0 110.872 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 73.6 mt -59.51 -42.87 93.18 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.76 0.824 . . . . 25.0 112.568 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 653' ' ' LEU . 0.4 OUTLIER -74.28 -23.44 59.11 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.527 0.565 . . . . 25.0 112.527 176.483 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -84.8 -32.73 23.19 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 177.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -83.7 -21.32 32.39 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.076 0.235 . . . . 25.0 111.402 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -71.51 -31.49 67.13 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 167.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 5.4 mt -68.41 -29.93 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 114.775 -1.102 . . . . 25.0 109.862 173.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 658' ' ' TYR . . . . . 0.423 ' O ' ' HB2' ' A' ' 662' ' ' LYS . 87.4 t80 -85.12 -30.64 23.84 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.645 -0.707 . . . . 25.0 110.786 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.487 ' HE2' ' OE2' ' A' ' 663' ' ' GLU . 88.1 tttt -72.33 -40.57 67.33 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.554 0.576 . . . . 25.0 112.554 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.674 HG21 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -67.86 -31.86 53.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 CA-C-N 115.572 -0.74 . . . . 25.0 110.043 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -75.5 -21.69 57.81 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.879 -0.601 . . . . 25.0 111.781 172.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 662' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 658' ' ' TYR . 61.4 tttm -85.21 -46.82 10.7 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.885 1.274 . . . . 25.0 110.972 -176.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.487 ' OE2' ' HE2' ' A' ' 659' ' ' LYS . 97.3 mt-10 -62.95 -41.14 99.41 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.572 -0.74 . . . . 25.0 112.682 -178.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 668' ' ' ARG . 85.9 mt -60.99 -28.79 69.27 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.356 0.502 . . . . 25.0 112.356 174.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -77.24 -21.89 53.06 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 122.517 0.327 . . . . 25.0 111.49 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -78.1 -22.69 48.57 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.191 -0.459 . . . . 25.0 110.753 174.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.411 ' HG3' ' OD2' ' B' ' 539' ' ' ASP . 46.9 mmtm -86.53 -17.94 32.79 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.688 -0.687 . . . . 25.0 110.615 176.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 668' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 664' ' ' LEU . 88.2 mtt-85 -81.58 -18.92 43.14 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.66 -0.7 . . . . 25.0 111.467 -177.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -85.4 -24.44 27.52 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.404 -0.362 . . . . 25.0 111.188 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 54.3 p -91.12 -30.1 16.91 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.304 0.377 . . . . 25.0 111.384 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -153.27 104.91 2.82 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 41.2 tp . . . . . 0 C--O 1.25 1.115 0 CA-C-N 114.988 -1.005 . . . . 25.0 112.554 178.682 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.434 -0.267 . . . . 25.0 112.434 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 28.1 t -115.37 130.79 24.0 Favored Pre-proline 0 CA--C 1.541 0.615 0 CA-C-O 119.478 -0.296 . . . . 25.0 110.922 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -72.81 140.53 32.25 Favored 'Trans proline' 0 C--N 1.374 1.915 0 C-N-CA 122.408 2.072 . . . . 25.0 113.324 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -130.37 -148.49 6.39 Favored Glycine 0 C--N 1.338 0.639 0 CA-C-N 115.916 -0.584 . . . . 25.0 112.894 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -117.79 103.14 50.83 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 122.493 0.317 . . . . 25.0 111.124 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -67.91 131.57 24.32 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.563 2.175 . . . . 25.0 112.706 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -121.39 -37.48 2.91 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.985 -0.552 . . . . 25.0 111.821 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -121.94 -49.59 0.25 Allowed Glycine 0 C--N 1.341 0.806 0 C-N-CA 121.351 -0.452 . . . . 25.0 112.873 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 82.4 mt -113.55 125.05 53.77 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.858 0.361 . . . . 25.0 110.096 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 5.0 tp -116.94 -9.57 11.12 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.524 -0.762 . . . . 25.0 110.271 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 45.6 p -155.36 -48.73 0.08 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.766 -0.652 . . . . 25.0 111.265 -176.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 102.93 91.26 2.18 Favored Glycine 0 C--N 1.343 0.94 0 O-C-N 123.466 0.479 . . . . 25.0 112.672 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -131.52 -6.19 3.71 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.859 0.361 . . . . 25.0 110.676 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -95.92 -5.28 41.79 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.685 -0.688 . . . . 25.0 112.036 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -91.43 -9.74 43.52 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.867 -1.06 . . . . 25.0 111.383 -178.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -68.5 -11.31 59.67 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.119 0.785 . . . . 25.0 113.119 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 88.5 p -71.72 -33.39 68.69 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.317 -0.856 . . . . 25.0 111.549 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 78.3 p -90.19 -31.15 17.16 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.112 0.412 . . . . 25.0 112.112 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 91.9 mt -87.19 -33.76 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 -174.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.44 -11.42 59.25 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 539' ' ' ASP . . . . . 0.411 ' OD2' ' HG3' ' A' ' 667' ' ' LYS . 64.7 m-20 -100.67 -7.17 24.15 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.369 -0.832 . . . . 25.0 109.626 174.217 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 56.5 ttm -97.39 -32.07 12.05 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.077 -0.965 . . . . 25.0 109.804 174.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 541' ' ' ASP . . . . . 0.558 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 50.3 m-20 -89.69 -20.14 23.99 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.178 -0.919 . . . . 25.0 111.851 -178.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -73.32 -27.59 61.6 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 122.154 0.182 . . . . 25.0 111.095 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.9 p -82.04 -26.38 33.81 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.05 -0.523 . . . . 25.0 111.723 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 544' ' ' ALA . . . . . 0.493 ' HB2' HH11 ' A' ' 624' ' ' ARG . . . -82.91 -22.17 33.98 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.909 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 40.5 mt -82.58 -14.83 54.16 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.495 0.554 . . . . 25.0 112.495 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 88.3 mt -72.64 -29.94 63.88 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 120.858 0.361 . . . . 25.0 111.293 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.9 p -75.56 -16.23 60.28 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.377 -0.828 . . . . 25.0 111.936 177.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 548' ' ' GLN . . . . . 0.513 ' NE2' HD23 ' B' ' 545' ' ' LEU . 95.1 mt-30 -73.53 -11.25 60.38 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.581 0.585 . . . . 25.0 112.581 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 89.5 mt -91.56 -32.23 5.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 115.947 -0.57 . . . . 25.0 110.67 -178.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 61.8 p -89.98 -37.02 14.63 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.327 0.392 . . . . 25.0 111.732 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.823 -0.608 . . . . 25.0 110.955 179.314 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.456 -0.257 . . . . 25.0 112.456 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 63.9 t -90.41 144.63 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 109.983 -0.377 . . . . 25.0 109.983 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.498 ' HD2' ' OE2' ' A' ' 593' ' ' GLU . 68.4 ttp85 -91.77 123.65 35.32 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.868 -0.606 . . . . 25.0 110.726 -175.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -127.25 -172.29 2.62 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.431 -0.804 . . . . 25.0 110.926 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -64.44 -36.11 92.78 Favored Glycine 0 C--N 1.348 1.201 0 N-CA-C 114.302 0.481 . . . . 25.0 114.302 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.649 ' NE1' HG21 ' A' ' 595' ' ' VAL . 13.6 t90 -70.74 -33.59 70.98 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 112.554 0.576 . . . . 25.0 112.554 -177.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -72.64 -13.35 61.35 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 116.55 -0.295 . . . . 25.0 111.401 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.498 ' OE2' ' HD2' ' A' ' 588' ' ' ARG . 70.0 mm-40 -82.26 -29.25 31.35 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.153 0.427 . . . . 25.0 112.153 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -106.69 -24.84 11.99 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.043 0.757 . . . . 25.0 113.043 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.649 HG21 ' NE1' ' A' ' 591' ' ' TRP . 77.3 t -79.38 125.11 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 178.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 80.3 p -112.78 -176.06 2.82 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.953 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -69.94 -19.04 63.4 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.105 -0.952 . . . . 25.0 109.689 166.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -81.97 -44.88 16.14 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.056 -0.52 . . . . 25.0 111.295 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.572 HD23 HG22 ' A' ' 595' ' ' VAL . 63.4 tp -59.43 -45.03 92.72 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 111.902 0.334 . . . . 25.0 111.902 175.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.528 ' HG2' ' OE2' ' A' ' 636' ' ' GLU . 85.6 mtp180 -62.07 -23.48 66.53 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 -177.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 58.4 p -83.56 -28.62 28.45 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.051 -0.522 . . . . 25.0 110.763 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -78.98 -22.54 45.44 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.459 0.703 . . . . 25.0 111.574 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 71.4 mt -80.89 -35.17 32.93 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.541 -0.754 . . . . 25.0 109.822 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 50.6 t -75.04 -30.79 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 CA-C-N 115.051 -0.977 . . . . 25.0 110.71 172.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.584 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 64.2 t60 -78.43 -17.88 55.75 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.554 0.342 . . . . 25.0 110.942 177.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -85.21 -24.91 27.65 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 122.104 0.954 . . . . 25.0 109.18 174.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.542 ' CD2' ' HB1' ' A' ' 632' ' ' ALA . 17.4 tp -87.6 -38.23 16.12 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 113.108 -1.86 . . . . 25.0 111.885 -173.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 40.6 t -72.63 -27.49 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.18 0.592 . . . . 25.0 111.33 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 609' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 97.1 mm-40 -80.17 -36.0 35.66 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-O 120.931 0.396 . . . . 25.0 110.664 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.461 ' CB ' HG12 ' A' ' 657' ' ' ILE . . . -64.28 -34.12 77.39 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.158 -0.928 . . . . 25.0 111.839 174.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.586 HG12 HG21 ' A' ' 660' ' ' ILE . 96.0 mt -80.22 -56.15 7.29 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 N-CA-C 109.452 -0.574 . . . . 25.0 109.452 176.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.423 ' CD2' HD13 ' B' ' 545' ' ' LEU . 76.6 t80 -141.31 113.8 6.78 Favored Pre-proline 0 CA--C 1.549 0.923 0 O-C-N 123.322 0.389 . . . . 25.0 110.206 173.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.12 140.49 92.66 Favored 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.472 2.115 . . . . 25.0 112.758 175.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 86.2 m -99.53 115.01 65.96 Favored Pre-proline 0 C--O 1.236 0.366 0 N-CA-C 113.002 0.741 . . . . 25.0 113.002 -176.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.474 ' HG2' HD13 ' B' ' 549' ' ' ILE . 50.0 Cg_exo -69.13 -55.61 0.19 Allowed 'Trans proline' 0 C--N 1.367 1.525 0 C-N-CA 123.215 2.61 . . . . 25.0 112.382 166.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -127.68 141.51 41.25 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 115.353 -0.839 . . . . 25.0 111.544 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -58.9 -13.21 17.54 Favored 'Trans proline' 0 C--N 1.371 1.759 0 C-N-CA 124.023 3.149 . . . . 25.0 114.113 173.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.44 -34.96 58.74 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.688 0.395 . . . . 25.0 111.794 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.44 -26.64 61.03 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.079 0.466 . . . . 25.0 110.909 173.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 18.4 tp -81.93 -10.14 59.37 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.004 -0.998 . . . . 25.0 111.711 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -102.88 14.54 31.7 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.232 -0.44 . . . . 25.0 110.494 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -82.53 161.91 22.18 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.755 -0.657 . . . . 25.0 111.148 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.5 mmp_? -79.28 -39.8 32.07 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.615 -0.721 . . . . 25.0 110.626 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -68.01 -24.8 65.15 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 114.74 -1.118 . . . . 25.0 112.178 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -88.35 -38.21 15.32 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.332 -0.395 . . . . 25.0 111.141 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -55.92 -20.3 15.42 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.427 0.691 . . . . 25.0 112.395 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -69.99 -36.05 74.86 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.479 0.548 . . . . 25.0 112.479 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.535 HD22 ' HE1' ' B' ' 534' ' ' PHE . 16.0 mt -86.58 -29.25 22.76 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 110.589 -0.152 . . . . 25.0 110.589 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 73.3 t -56.87 -35.46 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 120.99 0.424 . . . . 25.0 109.867 171.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -75.74 -18.81 59.43 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.109 -0.95 . . . . 25.0 111.36 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.482 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 60.1 t80 -78.82 -35.17 44.52 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.613 -0.721 . . . . 25.0 110.74 172.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.542 ' HB1' ' CD2' ' A' ' 607' ' ' LEU . . . -83.48 -29.05 28.3 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.405 0.44 . . . . 25.0 111.458 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -64.92 -38.81 92.21 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.261 0.553 . . . . 25.0 111.341 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -77.21 -28.81 53.95 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 114.706 -1.134 . . . . 25.0 111.002 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.436 ' HB ' ' HA ' ' A' ' 632' ' ' ALA . 1.2 t -74.4 -44.33 48.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 115.369 -0.832 . . . . 25.0 112.11 -170.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.528 ' OE2' ' HG2' ' A' ' 600' ' ' ARG . 12.1 tm-20 -65.73 -29.01 69.47 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.126 0.57 . . . . 25.0 111.356 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -74.84 -19.04 80.09 Favored Glycine 0 C--N 1.344 0.986 0 CA-C-N 116.116 -0.493 . . . . 25.0 113.358 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -79.18 -19.26 51.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.836 0.454 . . . . 25.0 111.099 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.592 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 14.2 mtt -76.02 -24.17 55.23 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.445 0.535 . . . . 25.0 112.445 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -27.54 50.66 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.349 -0.387 . . . . 25.0 111.3 -177.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -88.73 -21.4 23.87 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.901 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 m -94.59 -46.0 7.15 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.841 0.312 . . . . 25.0 111.841 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -88.75 152.19 21.94 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.857 0.318 . . . . 25.0 111.857 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -116.87 -9.04 11.26 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.066 -0.515 . . . . 25.0 112.03 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 49.4 m -132.34 155.97 47.44 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 122.557 0.343 . . . . 25.0 110.475 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.584 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 1.5 ptt-85 -70.26 -24.8 63.12 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -177.01 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -81.44 -25.15 36.38 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.193 0.308 . . . . 25.0 111.278 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 651' ' ' HIS . 36.1 mm-40 -86.38 -46.8 9.92 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.069 176.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 649' ' ' TYR . . . . . 0.478 ' OH ' ' OE2' ' A' ' 636' ' ' GLU . 74.2 t80 -53.96 -54.1 43.67 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.926 0.89 . . . . 25.0 111.764 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 646' ' ' ARG . 22.6 m-85 -64.01 -15.13 58.69 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 176.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 651' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' A' ' 648' ' ' GLU . 84.7 t60 -81.84 -43.36 18.34 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 119.331 -0.366 . . . . 25.0 111.858 -177.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.45 ' HB2' ' HG2' ' A' ' 639' ' ' MET . 97.1 mt -59.79 -23.04 62.98 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.159 0.8 . . . . 25.0 113.159 -178.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.592 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 51.4 tp -87.66 -39.94 14.59 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 110.51 -0.181 . . . . 25.0 110.51 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.467 ' O ' ' CD1' ' A' ' 658' ' ' TYR . . . -69.83 -25.16 63.62 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.495 0.497 . . . . 25.0 111.492 175.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.78 -35.63 29.37 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.143 176.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 652' ' ' LEU . 31.9 mttt -71.88 -22.34 61.52 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.461 0.476 . . . . 25.0 109.718 173.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.461 HG12 ' CB ' ' A' ' 610' ' ' ALA . 2.0 mt -72.87 -29.99 31.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 115.604 -0.725 . . . . 25.0 110.253 176.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 658' ' ' TYR . . . . . 0.467 ' CD1' ' O ' ' A' ' 654' ' ' ALA . 27.9 m-85 -85.11 -30.91 23.65 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.337 -0.392 . . . . 25.0 111.156 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -76.64 -34.58 58.31 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.586 HG21 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -73.34 -32.81 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.762 -0.459 . . . . 25.0 109.762 176.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -67.52 -20.04 65.38 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.493 -0.776 . . . . 25.0 112.273 174.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -72.89 -36.97 67.43 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.867 0.467 . . . . 25.0 111.764 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -69.89 -48.02 60.29 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.568 0.747 . . . . 25.0 111.489 -177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 98.7 mt -68.27 -18.85 64.64 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.591 0.589 . . . . 25.0 112.591 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 665' ' ' GLU . . . . . 0.445 ' HA ' ' HD2' ' A' ' 668' ' ' ARG . 44.8 tp10 -82.24 -19.06 40.42 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.442 0.297 . . . . 25.0 111.07 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -75.86 -27.87 57.97 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 122.644 0.377 . . . . 25.0 111.635 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -86.16 -18.1 33.16 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.095 -0.502 . . . . 25.0 111.441 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 668' ' ' ARG . . . . . 0.445 ' HD2' ' HA ' ' A' ' 665' ' ' GLU . 78.3 mtt180 -76.88 -32.13 57.24 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.989 -0.55 . . . . 25.0 111.375 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -91.6 -12.2 34.98 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.327 0.392 . . . . 25.0 111.829 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 87.0 p -98.44 -23.85 15.4 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.045 0.387 . . . . 25.0 112.045 -177.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -95.95 -9.03 32.23 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 123.175 0.297 . . . . 25.0 111.648 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.87 -1.062 . . . . 25.0 110.752 178.792 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.457 -0.257 . . . . 25.0 112.457 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 28.1 t -123.11 133.03 24.27 Favored Pre-proline 0 CA--C 1.541 0.615 0 CA-C-O 119.482 -0.294 . . . . 25.0 110.79 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -71.68 143.54 42.18 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.475 2.116 . . . . 25.0 113.325 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -131.71 -21.18 1.03 Allowed Glycine 0 C--N 1.338 0.64 0 CA-C-N 115.857 -0.61 . . . . 25.0 113.177 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 61.08 100.37 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.31 0 C-N-CA 123.91 0.884 . . . . 25.0 111.848 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -64.06 -26.02 65.91 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.743 2.296 . . . . 25.0 113.777 178.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -98.79 -37.14 9.57 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.182 0.301 . . . . 25.0 111.518 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 107.56 171.86 22.07 Favored Glycine 0 C--N 1.342 0.886 0 O-C-N 123.362 0.414 . . . . 25.0 112.991 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 85.5 mt -133.21 -46.43 0.84 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.283 0.563 . . . . 25.0 110.344 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 68.7 mt -102.16 -10.36 19.69 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.412 -1.267 . . . . 25.0 110.406 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 88.7 p -125.24 41.28 3.55 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.397 -0.82 . . . . 25.0 110.556 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -97.78 -48.45 1.94 Allowed Glycine 0 C--N 1.341 0.842 0 CA-C-N 115.61 -0.723 . . . . 25.0 113.235 -177.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -126.58 -7.74 6.27 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.892 0.377 . . . . 25.0 111.233 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -97.27 -5.24 37.21 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.525 -0.761 . . . . 25.0 111.97 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -91.74 -9.65 42.93 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.881 -1.054 . . . . 25.0 111.491 -178.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 534' ' ' PHE . . . . . 0.619 ' CE2' ' HB2' ' B' ' 538' ' ' ALA . 22.8 t80 -66.75 -11.79 56.1 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.292 0.849 . . . . 25.0 113.292 -177.316 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 88.5 p -71.38 -32.49 68.53 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.466 -0.788 . . . . 25.0 111.789 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 85.1 p -90.27 -30.78 17.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.147 -0.479 . . . . 25.0 112.039 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 85.3 mt -86.76 -32.71 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 111.876 0.325 . . . . 25.0 111.876 -175.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 538' ' ' ALA . . . . . 0.619 ' HB2' ' CE2' ' B' ' 534' ' ' PHE . . . -81.42 -11.43 59.26 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.641 0.608 . . . . 25.0 112.641 -176.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -98.21 -14.58 20.26 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.505 -0.77 . . . . 25.0 110.02 175.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 94.5 mtp -91.48 -27.84 18.0 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.452 -0.795 . . . . 25.0 110.973 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -92.61 -19.84 21.49 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.613 -178.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -76.5 -26.79 55.66 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.464 0.173 . . . . 25.0 111.209 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.8 p -81.62 -23.52 36.97 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.472 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 544' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' B' ' 548' ' ' GLN . . . -84.24 -22.88 30.65 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.983 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.423 HD13 ' CD2' ' A' ' 612' ' ' PHE . 61.2 mt -81.31 -15.41 55.48 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.389 0.515 . . . . 25.0 112.389 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 98.3 mt -82.13 -42.0 19.71 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 120.889 0.376 . . . . 25.0 110.695 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 89.7 p -76.33 -15.77 59.9 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.297 -0.865 . . . . 25.0 111.309 175.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 548' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' B' ' 544' ' ' ALA . 46.8 tp60 -75.98 -24.69 55.37 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.266 0.626 . . . . 25.0 111.907 -177.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 549' ' ' ILE . . . . . 0.474 HD13 ' HG2' ' A' ' 615' ' ' PRO . 14.2 mt -102.35 -28.8 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 115.467 -0.788 . . . . 25.0 112.199 -179.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 94.7 p -92.66 -24.07 18.77 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.268 0.355 . . . . 25.0 111.847 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.486 1.333 0 C-N-CA 124.381 1.072 . . . . 25.0 112.701 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.464 -0.254 . . . . 25.0 112.464 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 73.0 t -90.48 140.55 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 110.186 -0.302 . . . . 25.0 110.186 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -92.54 124.79 36.83 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.976 -0.556 . . . . 25.0 109.902 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -123.14 126.63 47.39 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.415 -0.357 . . . . 25.0 111.367 -177.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -80.71 -24.31 58.56 Favored Glycine 0 C--N 1.341 0.83 0 CA-C-N 115.564 -0.743 . . . . 25.0 113.671 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -79.25 -27.37 42.37 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.182 0.438 . . . . 25.0 112.182 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -13.23 61.27 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.421 175.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -86.44 -31.63 21.29 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.542 0.571 . . . . 25.0 112.542 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -102.13 -21.25 14.45 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.126 0.787 . . . . 25.0 113.126 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.448 HG22 HD12 ' A' ' 599' ' ' LEU . 53.6 t -79.13 129.01 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-O 121.105 0.478 . . . . 25.0 110.721 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 80.3 p -111.48 -176.03 2.85 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.788 -1.096 . . . . 25.0 111.179 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -75.42 -17.09 60.27 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.08 167.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -78.0 -33.13 51.41 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 115.95 -0.568 . . . . 25.0 111.888 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.448 HD12 HG22 ' A' ' 595' ' ' VAL . 9.9 mt -62.9 -47.87 81.42 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 112.013 0.375 . . . . 25.0 112.013 174.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -60.19 -21.79 62.16 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.59 0.589 . . . . 25.0 112.59 -175.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.8 p -83.41 -30.58 27.22 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.13 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -82.21 -20.21 38.2 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.418 0.449 . . . . 25.0 110.434 176.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.612 ' O ' HD21 ' A' ' 653' ' ' LEU . 26.8 mt -76.4 -35.11 58.78 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.53 -0.759 . . . . 25.0 109.958 174.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 39.6 t -74.73 -35.56 37.47 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-N 115.216 -0.902 . . . . 25.0 110.755 172.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.558 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 76.1 t60 -73.35 -16.74 61.34 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.854 0.359 . . . . 25.0 110.817 176.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -84.83 -28.56 25.99 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.198 0.999 . . . . 25.0 108.756 176.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.683 ' HB2' HD11 ' A' ' 653' ' ' LEU . 14.4 tp -87.61 -41.21 13.58 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 112.962 -1.926 . . . . 25.0 111.788 -173.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 42.5 t -72.8 -24.99 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.274 0.63 . . . . 25.0 111.159 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 609' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 98.5 mm-40 -82.05 -27.83 32.78 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.654 0.264 . . . . 25.0 111.398 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -75.95 -29.75 58.4 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.882 -0.599 . . . . 25.0 111.538 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.559 HG12 HG21 ' A' ' 660' ' ' ILE . 97.5 mt -82.79 -56.5 5.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 N-CA-C 109.473 -0.566 . . . . 25.0 109.473 177.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -141.78 110.03 6.11 Favored Pre-proline 0 CA--C 1.549 0.919 0 O-C-N 123.339 0.399 . . . . 25.0 110.381 173.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -66.9 136.13 40.4 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 122.415 2.077 . . . . 25.0 112.324 173.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.19 114.35 61.29 Favored Pre-proline 0 C--O 1.236 0.381 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 -176.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -60.83 -52.46 3.63 Favored 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 123.362 2.708 . . . . 25.0 112.755 167.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -108.97 123.43 37.02 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 114.892 -1.049 . . . . 25.0 111.357 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -61.62 -10.2 15.9 Favored 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 123.095 2.53 . . . . 25.0 114.201 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.82 -8.14 57.62 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.616 0.599 . . . . 25.0 112.616 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.0 -8.02 59.68 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.726 0.41 . . . . 25.0 112.076 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 95.1 mt -83.55 2.92 34.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.101 -0.5 . . . . 25.0 112.195 -175.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -101.52 14.51 31.74 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.097 0.475 . . . . 25.0 110.45 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -88.92 150.02 23.05 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.701 -0.681 . . . . 25.0 110.707 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -79.81 -36.09 37.44 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.44 -0.8 . . . . 25.0 110.875 -175.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.438 ' HE ' ' CB ' ' B' ' 544' ' ' ALA . 73.8 mtp85 -69.64 -28.08 65.59 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.809 -1.087 . . . . 25.0 112.08 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 15.9 ttt -86.34 -35.3 19.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.229 -0.441 . . . . 25.0 111.358 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -55.8 -21.14 17.89 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -77.99 -28.42 49.3 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.49 0.316 . . . . 25.0 111.44 176.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.75 -32.34 21.91 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.064 -0.516 . . . . 25.0 110.271 175.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.61 HG12 ' HD2' ' A' ' 633' ' ' LYS . 74.5 t -60.93 -33.91 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 122.978 0.511 . . . . 25.0 110.092 170.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -83.96 -19.13 35.14 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.457 -0.792 . . . . 25.0 112.111 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -73.81 -40.94 62.99 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.407 -0.361 . . . . 25.0 110.14 171.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.516 ' HB1' ' CD2' ' A' ' 607' ' ' LEU . . . -80.12 -31.6 39.1 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.738 -176.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.61 ' HD2' HG12 ' A' ' 629' ' ' VAL . 41.6 mttt -68.61 -21.11 64.51 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.787 -0.642 . . . . 25.0 110.752 177.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -86.67 -39.45 16.05 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.132 -0.94 . . . . 25.0 112.472 -177.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.413 HG11 ' HD2' ' A' ' 656' ' ' LYS . 53.2 t -68.08 -52.02 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 113.821 1.045 . . . . 25.0 113.821 -166.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.403 ' HA ' ' HG3' ' A' ' 639' ' ' MET . 2.9 pp20? -57.94 -20.39 37.31 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 113.419 0.896 . . . . 25.0 113.419 -176.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.49 -23.48 77.99 Favored Glycine 0 C--N 1.345 1.066 0 C-N-CA 121.673 -0.299 . . . . 25.0 113.04 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -87.21 -19.53 28.24 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 122.993 0.517 . . . . 25.0 111.176 175.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.559 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 9.0 mtm -71.62 -28.77 64.02 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.834 177.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -77.24 -25.07 51.19 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.019 -0.537 . . . . 25.0 110.416 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -89.05 -26.14 21.58 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.15 0.98 . . . . 25.0 111.206 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 34.7 m -96.36 -46.17 6.51 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -177.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -85.37 153.2 22.69 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.852 0.316 . . . . 25.0 111.852 -178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -114.83 -12.31 12.12 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.88 -0.6 . . . . 25.0 112.064 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.2 p -131.9 158.85 40.29 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.537 0.335 . . . . 25.0 110.54 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 73.1 ttt-85 -72.61 -25.01 61.15 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.024 -0.535 . . . . 25.0 112.208 -174.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -81.0 -25.22 37.39 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.182 0.302 . . . . 25.0 111.416 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 651' ' ' HIS . 25.1 tp10 -86.08 -45.21 11.61 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.13 -0.486 . . . . 25.0 109.87 175.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 649' ' ' TYR . . . . . 0.47 ' HD2' ' CD1' ' A' ' 650' ' ' TYR . 76.4 t80 -54.8 -50.46 68.47 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.691 0.796 . . . . 25.0 111.746 178.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.47 ' CD1' ' HD2' ' A' ' 649' ' ' TYR . 9.4 m-85 -68.63 -15.07 63.41 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 112.346 0.498 . . . . 25.0 112.346 176.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 651' ' ' HIS . . . . . 0.413 ' HB3' ' O ' ' A' ' 648' ' ' GLU . 77.8 t60 -82.19 -40.21 22.06 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.142 0.423 . . . . 25.0 112.142 -177.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 87.1 mt -59.6 -27.22 66.1 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 178.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' A' ' 607' ' ' LEU . 57.9 tp -86.69 -31.46 21.02 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.406 0.282 . . . . 25.0 110.974 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.43 -25.0 60.32 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.351 174.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -73.44 -39.54 64.9 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.191 -0.459 . . . . 25.0 112.063 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.413 ' HD2' HG11 ' A' ' 635' ' ' VAL . 59.5 mttp -67.97 -27.37 66.54 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.603 -0.518 . . . . 25.0 109.603 173.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 17.6 mt -71.9 -30.37 36.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 115.298 -0.865 . . . . 25.0 110.555 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -84.54 -32.83 23.66 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.266 -0.425 . . . . 25.0 111.129 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -77.17 -31.54 55.55 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.202 -0.454 . . . . 25.0 112.145 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.559 HG21 HG12 ' A' ' 611' ' ' ILE . 95.0 mt -78.36 -23.84 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-O 121.113 0.483 . . . . 25.0 109.919 176.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -76.46 -19.7 57.77 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.617 -0.72 . . . . 25.0 111.961 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 662' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 665' ' ' GLU . 57.9 tttm -75.91 -39.59 56.0 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.811 0.444 . . . . 25.0 111.89 177.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.31 -47.28 64.93 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.414 0.686 . . . . 25.0 112.546 -176.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.53 -19.49 48.64 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 665' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 662' ' ' LYS . 64.3 mt-10 -66.52 -16.96 64.53 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.271 0.841 . . . . 25.0 113.271 -178.025 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -75.98 -20.78 57.6 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.538 0.209 . . . . 25.0 111.431 176.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 667' ' ' LYS . 1.9 mptt -84.87 -18.14 35.75 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.989 -0.55 . . . . 25.0 111.014 175.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -79.97 -31.27 39.87 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.012 -0.54 . . . . 25.0 111.497 -177.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 68.9 mtm-85 -91.44 -13.88 31.53 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 123.339 0.399 . . . . 25.0 111.289 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 93.4 p -85.49 -6.86 59.15 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.11 0.411 . . . . 25.0 112.11 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -83.94 -7.3 59.46 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 122.887 0.475 . . . . 25.0 112.111 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.017 -0.992 . . . . 25.0 111.126 -173.227 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 112.499 -0.24 . . . . 25.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 520' ' ' SER . . . . . 0.54 ' HB3' ' HE2' ' B' ' 523' ' ' TYR . 35.5 t 62.3 121.85 0.02 OUTLIER Pre-proline 0 N--CA 1.485 1.298 0 C-N-CA 124.166 0.986 . . . . 25.0 112.09 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -74.17 -23.03 16.14 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.4 2.067 . . . . 25.0 113.76 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -141.22 138.14 8.61 Favored Glycine 0 C--N 1.338 0.656 0 O-C-N 123.48 0.488 . . . . 25.0 112.436 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 523' ' ' TYR . . . . . 0.54 ' HE2' ' HB3' ' B' ' 520' ' ' SER . 23.9 m-85 -111.06 110.36 56.67 Favored Pre-proline 0 CA--C 1.547 0.865 0 O-C-N 123.534 0.197 . . . . 25.0 111.33 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -62.92 154.83 64.08 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.692 2.261 . . . . 25.0 113.058 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -90.74 126.8 36.11 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.998 -0.546 . . . . 25.0 111.088 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 114.03 -26.43 9.91 Favored Glycine 0 C--N 1.339 0.731 0 CA-C-N 115.74 -0.664 . . . . 25.0 112.865 -178.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 78.0 mt -101.49 -164.58 1.11 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 122.599 0.36 . . . . 25.0 110.657 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 528' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' B' ' 523' ' ' TYR . 94.0 mt 59.18 8.01 0.99 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.537 1.135 . . . . 25.0 112.422 -177.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 92.3 p -137.61 2.22 2.42 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.311 -0.404 . . . . 25.0 111.268 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -90.22 -59.83 1.44 Allowed Glycine 0 C--N 1.344 0.981 0 CA-C-N 116.431 -0.349 . . . . 25.0 113.206 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -128.66 3.22 5.5 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.893 0.378 . . . . 25.0 111.127 -178.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -94.34 -4.13 49.14 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.632 -0.713 . . . . 25.0 112.138 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -87.5 -9.84 53.41 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.095 -0.957 . . . . 25.0 111.524 -178.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 534' ' ' PHE . . . . . 0.629 ' O ' ' HB3' ' B' ' 538' ' ' ALA . 56.7 m-85 -85.49 -12.82 50.87 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.408 0.623 . . . . 25.0 111.302 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 88.5 p -77.59 -39.03 46.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.981 -1.008 . . . . 25.0 110.965 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 39.9 t -91.26 -56.3 3.2 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.87 -0.605 . . . . 25.0 111.812 177.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 97.1 mt -74.26 -37.15 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 113.22 0.822 . . . . 25.0 113.22 -172.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 538' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' B' ' 534' ' ' PHE . . . -81.16 -10.91 59.56 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.081 0.467 . . . . 25.0 112.037 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 539' ' ' ASP . . . . . 0.402 ' CG ' ' HE2' ' A' ' 667' ' ' LYS . 95.9 m-20 -104.19 -6.6 20.83 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.032 -0.985 . . . . 25.0 109.512 172.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 54.6 ttm -96.97 -30.87 12.84 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.224 -0.898 . . . . 25.0 110.068 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 541' ' ' ASP . . . . . 0.406 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 90.0 m-20 -89.5 -19.25 25.3 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.22 -0.9 . . . . 25.0 111.782 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -71.11 -26.78 63.18 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.5 0.191 . . . . 25.0 111.076 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.8 p -81.65 -25.69 35.4 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.141 -0.481 . . . . 25.0 111.274 176.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 544' ' ' ALA . . . . . 0.438 ' CB ' ' HE ' ' A' ' 624' ' ' ARG . . . -81.11 -27.65 35.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.329 177.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 87.1 mt -84.96 -17.9 36.26 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.915 -0.584 . . . . 25.0 111.105 173.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 7.5 mt -78.92 -29.45 44.18 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.668 -0.696 . . . . 25.0 110.702 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.9 p -76.1 -15.72 60.04 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.59 -0.732 . . . . 25.0 111.9 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -73.42 -11.52 60.5 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 112.474 0.546 . . . . 25.0 112.474 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.5 mt -102.54 -32.04 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.02 -0.536 . . . . 25.0 110.644 -177.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 76.5 p -94.17 -38.79 10.89 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.542 -0.299 . . . . 25.0 111.632 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 94.8 p . . . . . 0 C--O 1.248 1.014 0 CA-C-O 117.983 -1.008 . . . . 25.0 110.64 179.845 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.601 -0.199 . . . . 25.0 112.601 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 71.9 t -90.46 144.27 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 109.994 -0.372 . . . . 25.0 109.994 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -92.46 123.4 35.74 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.834 -0.621 . . . . 25.0 111.762 -174.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -129.77 167.84 17.46 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.439 -0.8 . . . . 25.0 110.501 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -79.76 -18.13 73.62 Favored Glycine 0 C--N 1.345 1.051 0 N-CA-C 115.065 0.786 . . . . 25.0 115.065 -172.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 31.9 p-90 -68.98 -34.81 75.91 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 117.495 0.648 . . . . 25.0 112.579 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.87 -13.35 60.9 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.209 0.318 . . . . 25.0 111.408 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -82.55 -25.33 33.45 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -111.39 -25.02 9.85 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.938 0.718 . . . . 25.0 112.938 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 87.3 t -80.81 124.31 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 109.524 -0.547 . . . . 25.0 109.524 177.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 70.3 p -113.53 -174.76 2.53 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.303 -0.862 . . . . 25.0 111.59 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -71.04 -17.86 62.59 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.366 -0.834 . . . . 25.0 109.851 168.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -81.95 -38.47 25.15 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.735 -0.666 . . . . 25.0 112.069 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.87 -41.26 97.81 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.111 0.411 . . . . 25.0 112.111 175.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -63.9 -22.88 67.12 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 112.195 0.442 . . . . 25.0 112.195 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.8 p -84.34 -33.93 23.76 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.842 0.457 . . . . 25.0 111.969 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 55.9 m170 -77.36 -32.96 55.38 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.842 0.457 . . . . 25.0 111.237 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.409 HD12 ' OE2' ' A' ' 636' ' ' GLU . 61.1 mt -69.26 -25.05 64.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.376 0.671 . . . . 25.0 112.69 173.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 50.6 t -82.92 -27.22 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 123.773 0.829 . . . . 25.0 110.11 173.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.416 ' HA ' HG22 ' A' ' 608' ' ' VAL . 75.7 t60 -81.41 -17.33 49.28 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.932 -0.576 . . . . 25.0 109.812 170.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -82.65 -19.94 37.24 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.51 -0.768 . . . . 25.0 109.434 174.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.721 HD23 ' HB1' ' A' ' 632' ' ' ALA . 0.1 OUTLIER -83.83 -47.75 10.78 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 114.267 -1.333 . . . . 25.0 110.752 -177.819 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 605' ' ' HIS . 34.7 m -66.34 -23.57 31.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.648 -0.706 . . . . 25.0 111.916 -176.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -80.84 -39.01 27.28 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 122.815 0.446 . . . . 25.0 110.943 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.42 63.45 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.52 -0.763 . . . . 25.0 111.91 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.54 HG12 HG21 ' A' ' 660' ' ' ILE . 96.6 mt -82.91 -44.23 18.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 N-CA-C 109.991 -0.374 . . . . 25.0 109.991 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.509 ' CD2' HD13 ' B' ' 545' ' ' LEU . 87.9 t80 -142.84 115.54 6.11 Favored Pre-proline 0 CA--C 1.547 0.858 0 O-C-N 123.207 0.317 . . . . 25.0 110.225 171.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.1 140.29 27.96 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 121.702 1.601 . . . . 25.0 112.347 174.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 37.7 p -112.1 114.79 50.94 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -63.0 -52.58 2.06 Favored 'Trans proline' 0 C--N 1.37 1.708 0 C-N-CA 123.326 2.684 . . . . 25.0 112.477 166.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -105.52 125.96 32.06 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 114.707 -1.133 . . . . 25.0 111.282 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -61.08 -10.56 15.45 Favored 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 123.134 2.556 . . . . 25.0 114.136 174.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.17 -8.35 56.84 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.72 -13.43 54.05 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.278 -0.419 . . . . 25.0 112.1 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 95.6 mt -82.27 -0.58 46.1 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.347 0.499 . . . . 25.0 112.347 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -106.1 14.76 27.3 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.959 0.409 . . . . 25.0 111.173 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 622' ' ' ASP . . . . . 0.449 ' OD2' ' HG3' ' B' ' 548' ' ' GLN . 47.4 t0 -87.26 158.61 19.05 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.857 -0.61 . . . . 25.0 111.085 -176.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 54.2 tpt85 -79.12 -39.07 34.55 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.559 -0.746 . . . . 25.0 110.709 -177.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -68.8 -19.66 64.3 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.747 -1.115 . . . . 25.0 111.738 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 57.8 tpp -81.11 -37.08 29.49 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.184 0.594 . . . . 25.0 110.535 177.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -61.51 -21.58 64.35 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.663 0.785 . . . . 25.0 112.405 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.44 -43.54 69.68 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.73 0.641 . . . . 25.0 112.73 -177.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 4.3 mt -86.43 -21.57 27.02 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 121.25 -0.18 . . . . 25.0 111.096 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.2 -33.01 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 166.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -76.89 -19.08 57.87 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 114.598 -1.183 . . . . 25.0 111.529 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.4 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 86.8 t80 -75.85 -40.88 53.89 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.263 -0.426 . . . . 25.0 110.142 168.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.721 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -79.77 -28.64 40.36 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.31 -0.405 . . . . 25.0 111.754 -175.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -64.61 -25.63 68.04 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.863 0.465 . . . . 25.0 111.562 177.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -85.79 -34.44 21.12 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.191 -0.913 . . . . 25.0 112.064 -176.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.591 ' O ' ' HG3' ' A' ' 639' ' ' MET . 53.0 t -77.15 -38.22 27.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 N-CA-C 112.632 0.605 . . . . 25.0 112.632 -170.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.409 ' OE2' HD12 ' A' ' 603' ' ' LEU . 38.2 tp10 -63.44 -37.23 86.47 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.184 0.439 . . . . 25.0 112.184 176.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -81.75 -19.56 65.46 Favored Glycine 0 C--N 1.345 1.035 0 O-C-N 123.477 0.486 . . . . 25.0 113.411 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -84.48 -18.68 35.06 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.593 0.357 . . . . 25.0 111.08 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.591 ' HG3' ' O ' ' A' ' 635' ' ' VAL . 38.1 mtm -73.36 -26.78 61.16 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 -178.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -26.11 61.42 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.321 -0.4 . . . . 25.0 111.628 -175.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -88.62 -26.14 22.06 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.161 -0.472 . . . . 25.0 111.761 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 66.4 p -94.1 -34.0 13.14 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.187 0.439 . . . . 25.0 112.187 -176.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -96.22 143.63 27.15 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.412 0.285 . . . . 25.0 111.524 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -105.5 -16.75 14.63 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.903 -0.59 . . . . 25.0 111.683 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 91.6 p -132.27 161.73 32.75 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.072 -0.513 . . . . 25.0 110.557 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.499 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 1.7 ptm180 -74.83 -18.61 60.42 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.011 -0.54 . . . . 25.0 111.901 -176.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 647' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 95.5 m-20 -80.91 -26.88 36.46 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.171 0.294 . . . . 25.0 111.59 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -85.66 -44.89 12.2 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.364 0.415 . . . . 25.0 110.022 175.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 649' ' ' TYR . . . . . 0.465 ' O ' ' SD ' ' A' ' 639' ' ' MET . 80.7 t80 -52.14 -52.35 52.23 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.537 0.735 . . . . 25.0 111.489 176.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' A' ' 646' ' ' ARG . 23.1 m-85 -72.19 -16.32 61.96 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.001 0.741 . . . . 25.0 113.001 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 651' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 0.1 OUTLIER -84.34 -36.32 22.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 122.376 0.27 . . . . 25.0 111.01 178.844 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.32 -39.24 89.78 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.951 0.9 . . . . 25.0 112.514 176.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.59 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 6.3 tp -77.83 -29.87 50.78 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.879 -0.6 . . . . 25.0 112.411 177.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -81.73 -25.8 35.09 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -75.32 -32.91 61.08 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -67.96 -29.81 68.95 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.472 -0.566 . . . . 25.0 109.472 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 5.1 mt -71.48 -37.78 65.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-N 115.554 -0.748 . . . . 25.0 110.891 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -82.93 -27.37 30.64 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.93 0.395 . . . . 25.0 110.428 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -77.39 -33.44 55.09 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.324 -0.853 . . . . 25.0 112.199 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.54 HG21 HG12 ' A' ' 611' ' ' ILE . 77.7 mt -77.7 -30.12 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 109.958 -0.386 . . . . 25.0 109.958 177.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -63.2 -19.64 64.7 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.804 -0.634 . . . . 25.0 112.157 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -75.28 -43.62 50.19 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.175 0.435 . . . . 25.0 112.175 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -65.65 -34.19 77.64 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.168 0.587 . . . . 25.0 112.385 -175.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.55 -23.3 67.33 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.84 -0.618 . . . . 25.0 112.216 174.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -86.05 -17.64 34.64 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.452 0.301 . . . . 25.0 111.809 175.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -75.84 -27.11 57.72 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.531 0.332 . . . . 25.0 111.385 176.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -86.52 -19.56 29.32 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.149 -0.478 . . . . 25.0 111.477 176.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -87.39 -30.08 21.01 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.577 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -86.9 -23.73 25.1 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.267 0.354 . . . . 25.0 111.737 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 79.1 p -98.47 -28.99 13.36 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.334 -0.394 . . . . 25.0 111.215 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 67.49 -1.14 1.66 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.574 1.149 . . . . 25.0 112.816 178.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 C--O 1.253 1.261 0 CA-C-O 118.687 -0.673 . . . . 25.0 110.749 178.357 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 112.466 -0.254 . . . . 25.0 112.466 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 56.2 m -110.29 128.68 24.96 Favored Pre-proline 0 CA--C 1.543 0.679 0 O-C-N 123.688 0.287 . . . . 25.0 110.699 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -72.69 -19.75 23.84 Favored 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 122.441 2.094 . . . . 25.0 113.939 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 134.08 106.72 0.94 Allowed Glycine 0 C--N 1.34 0.777 0 C-N-CA 121.456 -0.402 . . . . 25.0 112.654 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -111.23 96.24 29.71 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 110.242 -0.281 . . . . 25.0 110.242 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -82.59 137.16 8.91 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 122.272 1.981 . . . . 25.0 113.469 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 61.67 128.72 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.24 1.016 . . . . 25.0 112.667 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 121.11 98.31 1.59 Allowed Glycine 0 C--N 1.338 0.661 0 CA-C-N 115.667 -0.697 . . . . 25.0 112.83 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 63.5 tp -101.76 -83.43 0.46 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.935 0.397 . . . . 25.0 110.056 177.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 91.8 mt -110.21 -35.75 6.01 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.175 -0.921 . . . . 25.0 108.927 172.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 78.1 p -134.95 -18.81 1.81 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-N 113.95 -1.477 . . . . 25.0 109.745 172.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 110.01 92.89 2.2 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-N 115.411 -0.813 . . . . 25.0 112.45 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 -135.6 33.12 3.0 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.447 0.641 . . . . 25.0 109.941 -178.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -108.17 -3.51 18.48 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.429 -0.805 . . . . 25.0 112.555 -177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -77.83 -23.91 48.83 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.345 -0.843 . . . . 25.0 112.519 -173.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -87.58 -12.14 46.57 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.72 0.295 . . . . 25.0 111.766 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 84.6 p -65.92 -23.46 66.63 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.745 -0.661 . . . . 25.0 112.078 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 79.0 p -87.03 -18.51 30.44 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.027 -0.533 . . . . 25.0 111.262 174.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 95.4 mt -87.06 -32.62 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.825 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.63 -11.27 59.17 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.771 0.656 . . . . 25.0 112.771 -177.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -97.6 -16.07 20.19 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.731 175.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 96.3 mmm -91.03 -26.64 19.09 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.312 -0.858 . . . . 25.0 110.743 173.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -89.13 -20.08 24.72 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.391 -0.822 . . . . 25.0 111.539 -178.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -75.53 -28.92 59.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.14 0.176 . . . . 25.0 111.379 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 76.3 p -81.74 -22.88 37.04 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.737 0.415 . . . . 25.0 111.855 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 544' ' ' ALA . . . . . 0.535 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.18 -22.5 30.93 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.351 -0.386 . . . . 25.0 112.01 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.509 HD13 ' CD2' ' A' ' 612' ' ' PHE . 89.3 mt -83.54 -15.38 49.52 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.381 0.512 . . . . 25.0 112.381 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 84.4 mt -80.51 -32.66 36.85 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.874 0.369 . . . . 25.0 110.954 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.8 p -75.78 -16.41 60.11 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.417 -0.811 . . . . 25.0 111.984 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 548' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 89.4 mm-40 -81.71 -25.3 35.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.255 -0.43 . . . . 25.0 112.002 -178.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 43.9 pt -103.05 -20.26 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 115.37 -0.832 . . . . 25.0 112.216 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 91.6 p -94.21 -34.31 12.94 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.229 0.331 . . . . 25.0 111.411 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--O 1.249 1.036 0 CA-C-O 117.988 -1.006 . . . . 25.0 110.614 179.493 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.475 -0.25 . . . . 25.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 83.6 t -90.5 129.6 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 122.505 0.322 . . . . 25.0 110.166 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -91.51 127.63 37.03 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.71 -0.677 . . . . 25.0 110.915 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.403 ' HD2' ' HE1' ' A' ' 591' ' ' TRP . 95.1 mttt -110.08 -176.4 2.99 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.886 -0.597 . . . . 25.0 110.991 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -64.83 -37.77 94.73 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 113.972 0.349 . . . . 25.0 113.972 -177.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.429 ' O ' HG23 ' A' ' 595' ' ' VAL . 64.3 p-90 -68.11 -35.4 78.07 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.102 0.561 . . . . 25.0 112.482 -177.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -68.62 -33.94 74.9 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 122.803 0.441 . . . . 25.0 111.594 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -87.06 -12.35 47.54 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 122.854 0.462 . . . . 25.0 110.805 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -97.39 -26.85 14.72 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.525 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 591' ' ' TRP . 86.0 t -88.01 127.38 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.478 -0.564 . . . . 25.0 109.478 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 80.3 p -110.34 179.47 4.08 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.967 -177.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -69.29 -20.66 63.9 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.886 -1.052 . . . . 25.0 109.807 167.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -83.29 -32.76 26.19 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 116.005 -0.543 . . . . 25.0 111.943 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 1.4 mt -68.79 -44.37 73.74 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 111.818 0.303 . . . . 25.0 111.818 174.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -62.63 -22.98 66.83 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.9 p -84.42 -34.13 23.56 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 122.706 0.403 . . . . 25.0 111.719 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -77.6 -32.85 53.84 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.843 0.457 . . . . 25.0 111.124 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.476 HD11 ' HE2' ' A' ' 650' ' ' TYR . 61.0 mt -69.8 -25.86 63.99 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.803 0.668 . . . . 25.0 112.803 173.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 28.0 t -82.81 -23.94 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 123.468 0.707 . . . . 25.0 109.847 173.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -84.05 -17.73 39.36 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.845 -0.616 . . . . 25.0 109.704 169.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -82.06 -19.95 39.25 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.257 -0.883 . . . . 25.0 109.258 175.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.937 HD13 ' HB1' ' A' ' 632' ' ' ALA . 0.3 OUTLIER -85.91 -50.7 6.89 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 114.179 -1.373 . . . . 25.0 111.097 -176.383 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.28 -26.08 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-N 115.627 -0.715 . . . . 25.0 111.72 -176.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -82.21 -27.84 32.33 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.491 0.186 . . . . 25.0 111.349 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -80.32 -33.21 37.69 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.388 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.557 HG12 HG21 ' A' ' 660' ' ' ILE . 95.1 mt -78.15 -47.91 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 116.076 -0.511 . . . . 25.0 110.09 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.449 ' CD2' HD13 ' B' ' 545' ' ' LEU . 86.4 t80 -143.85 111.13 5.24 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 122.574 0.35 . . . . 25.0 110.108 172.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.81 137.9 60.78 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.364 2.043 . . . . 25.0 112.267 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 60.6 p -98.62 114.41 65.32 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 112.821 0.674 . . . . 25.0 112.821 -175.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -68.7 -50.53 0.61 Allowed 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 123.157 2.571 . . . . 25.0 112.069 166.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -105.26 129.95 23.91 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 114.81 -1.086 . . . . 25.0 111.759 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.04 -16.4 44.89 Favored 'Trans proline' 0 C--N 1.367 1.501 0 C-N-CA 123.552 2.835 . . . . 25.0 114.007 176.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -85.76 -12.78 50.16 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.39 -9.12 46.14 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.456 0.539 . . . . 25.0 112.456 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 51.9 mt -82.33 -5.71 58.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 122.805 0.442 . . . . 25.0 112.162 -176.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.61 14.58 31.58 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.145 0.498 . . . . 25.0 110.391 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -86.63 153.37 21.82 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.812 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -75.49 -47.9 25.0 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.272 -0.876 . . . . 25.0 111.647 -177.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -65.04 -21.1 66.78 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.01 0.524 . . . . 25.0 112.381 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 27.5 tpp -77.44 -41.67 38.85 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 122.821 0.449 . . . . 25.0 110.531 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.96 -19.68 65.95 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -65.86 -40.92 92.14 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 122.887 0.475 . . . . 25.0 111.763 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 88.2 mt -86.53 -22.99 26.04 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 122.961 0.163 . . . . 25.0 110.858 177.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' A' ' 633' ' ' LYS . 6.0 t -54.79 -39.83 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 108.913 -0.773 . . . . 25.0 108.913 168.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -70.0 -19.19 63.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 114.548 -1.205 . . . . 25.0 111.682 176.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 11.0 t80 -76.65 -39.21 52.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.23 -0.441 . . . . 25.0 110.002 168.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.937 ' HB1' HD13 ' A' ' 607' ' ' LEU . . . -78.35 -31.18 48.44 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.286 -0.416 . . . . 25.0 112.05 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 629' ' ' VAL . 93.7 mttt -66.02 -24.07 66.68 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.007 0.432 . . . . 25.0 110.923 177.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -85.39 -35.24 21.47 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.205 -0.907 . . . . 25.0 112.048 -175.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.537 ' O ' ' HG3' ' A' ' 639' ' ' MET . 35.2 m -75.11 -21.94 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 112.802 0.667 . . . . 25.0 112.802 -172.178 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -70.7 -31.1 67.86 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.325 0.25 . . . . 25.0 111.288 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 637' ' ' GLY . . . . . 0.628 ' HA2' ' HD1' ' A' ' 640' ' ' TYR . . . -84.44 -34.35 16.99 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 116.111 -0.495 . . . . 25.0 113.884 -175.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -72.69 -19.18 61.46 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.897 0.38 . . . . 25.0 111.345 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.799 ' HE1' HD22 ' A' ' 653' ' ' LEU . 15.4 mtm -75.26 -23.1 57.43 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.521 -0.763 . . . . 25.0 112.118 176.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.628 ' HD1' ' HA2' ' A' ' 637' ' ' GLY . 29.4 m-85 -74.96 -29.44 60.92 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.985 -0.552 . . . . 25.0 111.747 -176.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -88.47 -22.05 23.88 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.154 -0.475 . . . . 25.0 111.832 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 78.4 p -96.18 -38.18 10.25 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.331 -0.395 . . . . 25.0 112.01 -176.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -91.33 147.13 23.26 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.722 0.296 . . . . 25.0 111.681 -177.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -118.01 -15.93 9.89 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.742 -0.663 . . . . 25.0 111.097 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 88.5 p -131.82 -178.79 5.04 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.761 -0.2 . . . . 25.0 111.343 -176.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -79.45 -32.98 42.79 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.306 0.484 . . . . 25.0 112.306 -178.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -80.5 -22.12 41.27 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.108 0.411 . . . . 25.0 112.108 -174.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -86.58 -45.95 10.57 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.999 -0.371 . . . . 25.0 109.999 177.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -55.28 -52.94 61.81 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.358 0.663 . . . . 25.0 111.72 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.476 ' HE2' HD11 ' A' ' 603' ' ' LEU . 11.0 m-85 -71.27 -19.78 62.3 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.062 0.764 . . . . 25.0 113.062 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -84.88 -34.07 22.67 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.441 0.162 . . . . 25.0 111.272 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.67 -40.91 98.0 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.369 0.667 . . . . 25.0 112.288 174.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.799 HD22 ' HE1' ' A' ' 639' ' ' MET . 1.2 tp -73.64 -25.56 60.35 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.866 -0.606 . . . . 25.0 112.449 174.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -84.12 -27.16 28.37 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.107 0.41 . . . . 25.0 112.107 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -74.62 -31.79 62.1 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -68.02 -29.83 68.93 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.114 -0.699 . . . . 25.0 109.114 171.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 27.6 mt -69.84 -31.0 46.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 114.9 -1.045 . . . . 25.0 110.777 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -85.39 -33.52 21.96 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.472 -0.331 . . . . 25.0 111.165 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.25 -37.4 69.12 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.108 0.41 . . . . 25.0 112.108 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.557 HG21 HG12 ' A' ' 611' ' ' ILE . 81.8 mt -69.69 -30.56 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 123.439 0.462 . . . . 25.0 109.974 177.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -70.63 -19.93 62.77 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.405 -0.816 . . . . 25.0 111.999 173.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -80.46 -38.03 30.78 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.854 0.462 . . . . 25.0 111.822 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.83 -44.95 79.79 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.689 0.796 . . . . 25.0 111.802 -176.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 667' ' ' LYS . 76.0 mt -69.98 -19.51 63.35 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.989 -0.551 . . . . 25.0 112.212 177.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.43 -16.93 61.83 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 122.74 0.416 . . . . 25.0 111.061 177.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -68.77 -21.53 64.34 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.26 -0.427 . . . . 25.0 111.221 174.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 664' ' ' LEU . 4.8 mptt -82.84 -18.11 41.55 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.749 -0.66 . . . . 25.0 110.505 173.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -86.68 -25.14 24.97 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.565 -0.743 . . . . 25.0 111.288 -178.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.61 -6.78 54.2 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.275 0.472 . . . . 25.0 112.275 -176.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 83.8 p -83.16 -6.83 59.62 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.216 0.45 . . . . 25.0 112.216 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -96.99 -4.36 39.94 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.68 0.276 . . . . 25.0 111.395 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.772 -0.632 . . . . 25.0 110.736 179.719 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.448 -0.261 . . . . 25.0 112.448 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 28.2 t 62.59 123.37 0.02 OUTLIER Pre-proline 0 N--CA 1.485 1.317 0 C-N-CA 124.235 1.014 . . . . 25.0 112.023 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -73.46 144.16 35.82 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.346 2.031 . . . . 25.0 113.476 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 152.41 -171.36 31.63 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.864 -0.607 . . . . 25.0 112.748 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -115.14 97.93 49.22 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 122.321 0.248 . . . . 25.0 110.765 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -68.49 -40.75 7.35 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.66 2.24 . . . . 25.0 113.04 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -128.33 130.59 48.01 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 123.463 0.477 . . . . 25.0 109.996 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -129.73 103.37 0.58 Allowed Glycine 0 C--N 1.337 0.635 0 CA-C-N 115.988 -0.551 . . . . 25.0 112.6 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.02 32.83 5.57 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.084 0.469 . . . . 25.0 111.556 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 86.6 mt -80.22 4.22 18.28 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.999 -0.546 . . . . 25.0 111.569 -178.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 86.2 p -134.14 -46.77 0.78 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.319 -0.4 . . . . 25.0 111.18 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 91.28 3.88 69.11 Favored Glycine 0 C--N 1.343 0.936 0 CA-C-N 116.117 -0.492 . . . . 25.0 113.93 176.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -121.68 -6.6 9.14 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.812 0.339 . . . . 25.0 111.883 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -115.34 -4.46 12.37 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.669 -0.696 . . . . 25.0 112.548 -176.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.16 -50.16 5.99 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.802 -0.635 . . . . 25.0 111.625 -175.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -88.41 -11.8 45.03 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.627 0.251 . . . . 25.0 111.293 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 77.1 p -67.61 -23.7 65.4 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.299 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 83.8 p -78.18 -28.76 48.25 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.748 -0.66 . . . . 25.0 110.69 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 95.4 mt -87.19 -32.32 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 115.29 -0.868 . . . . 25.0 111.272 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.77 -11.91 58.8 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.24 0.83 . . . . 25.0 113.24 -174.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -100.99 -11.16 19.91 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.576 -0.738 . . . . 25.0 109.726 175.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 93.3 mmm -93.29 -27.89 16.54 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.254 -0.885 . . . . 25.0 110.761 172.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -90.77 -19.67 23.24 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.624 -0.716 . . . . 25.0 111.68 -177.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -72.49 -29.27 63.49 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.541 0.21 . . . . 25.0 110.882 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.8 p -81.91 -23.31 36.31 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.945 -0.571 . . . . 25.0 111.209 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -80.13 -31.2 39.1 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.243 -0.435 . . . . 25.0 111.564 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.449 HD13 ' CD2' ' A' ' 612' ' ' PHE . 96.7 mt -82.41 -18.09 43.15 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.008 -0.542 . . . . 25.0 111.276 175.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 16.5 mt -87.1 -28.64 22.39 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.604 -0.726 . . . . 25.0 110.924 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.5 p -76.37 -20.84 56.78 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.95 -0.568 . . . . 25.0 112.262 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -91.27 -13.83 31.99 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.767 0.655 . . . . 25.0 112.767 -176.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 38.5 mt -104.89 -29.93 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 96.8 p -105.13 -41.52 5.54 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.216 0.323 . . . . 25.0 111.484 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 44.8 m . . . . . 0 N--CA 1.483 1.218 0 C-N-CA 123.943 0.897 . . . . 25.0 112.179 -179.338 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 112.574 -0.21 . . . . 25.0 112.574 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 90.2 t -90.29 137.61 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 110.058 -0.349 . . . . 25.0 110.058 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -91.2 136.53 33.03 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.781 -0.645 . . . . 25.0 111.237 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -113.56 -174.52 2.48 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.738 -0.664 . . . . 25.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -62.63 -35.6 92.08 Favored Glycine 0 C--N 1.347 1.151 0 N-CA-C 114.176 0.43 . . . . 25.0 114.176 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 60.2 p-90 -70.19 -33.3 71.55 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.002 0.521 . . . . 25.0 112.361 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -62.99 -36.68 84.35 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.305 0.642 . . . . 25.0 112.207 -177.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -91.05 -4.97 55.91 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 122.824 0.45 . . . . 25.0 110.937 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -104.97 -26.14 12.29 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.934 -0.576 . . . . 25.0 111.728 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.448 HG13 HD23 ' A' ' 599' ' ' LEU . 39.6 t -78.43 129.66 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 120.925 0.393 . . . . 25.0 110.317 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 66.6 p -111.27 -175.88 2.81 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.336 -0.847 . . . . 25.0 111.565 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -77.66 -17.36 57.79 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.758 168.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -77.69 -30.68 52.01 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 115.77 -0.65 . . . . 25.0 111.635 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.448 HD23 HG13 ' A' ' 595' ' ' VAL . 55.7 tp -63.95 -44.92 91.36 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 112.248 0.462 . . . . 25.0 112.248 174.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.404 ' O ' ' OE1' ' A' ' 636' ' ' GLU . 99.8 mtt180 -64.74 -25.73 68.06 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 111.951 0.352 . . . . 25.0 111.951 -177.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 69.9 p -84.63 -31.11 24.4 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.141 -0.481 . . . . 25.0 111.507 177.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -80.61 -19.98 44.25 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.92 0.488 . . . . 25.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.624 ' HA ' ' HB2' ' A' ' 606' ' ' LYS . 52.3 mt -83.32 -36.54 24.34 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.916 -0.583 . . . . 25.0 110.908 177.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.544 HG23 ' OE1' ' A' ' 636' ' ' GLU . 2.8 t -68.2 -30.78 49.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 124.109 0.964 . . . . 25.0 110.35 169.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -80.06 -17.34 52.98 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.849 -0.614 . . . . 25.0 110.053 173.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.624 ' HB2' ' HA ' ' A' ' 603' ' ' LEU . 20.2 mttt -82.78 -21.8 34.48 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.376 -0.829 . . . . 25.0 109.346 173.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 1.068 HD13 ' HB1' ' A' ' 632' ' ' ALA . 0.3 OUTLIER -86.35 -54.46 4.42 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.417 -1.265 . . . . 25.0 111.645 -176.124 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.33 -30.34 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.147 0.579 . . . . 25.0 111.913 -174.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -79.13 -34.11 43.66 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.979 0.419 . . . . 25.0 110.684 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -73.24 -36.13 66.37 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.037 -0.983 . . . . 25.0 111.802 177.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.425 HG12 HD13 ' A' ' 660' ' ' ILE . 84.4 mt -78.29 -52.38 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.032 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.721 ' CD2' HD13 ' B' ' 545' ' ' LEU . 89.9 t80 -138.6 105.82 7.65 Favored Pre-proline 0 CA--C 1.548 0.901 0 O-C-N 123.121 0.263 . . . . 25.0 110.329 172.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -68.12 135.31 34.24 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.336 2.024 . . . . 25.0 112.16 173.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 60.7 p -102.03 113.55 65.82 Favored Pre-proline 0 CA--C 1.536 0.42 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -63.94 -49.79 3.64 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 123.254 2.636 . . . . 25.0 112.361 168.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.405 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 46.2 t0 -106.85 121.7 44.07 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 114.907 -1.042 . . . . 25.0 111.073 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 55.5 Cg_endo -61.47 -10.4 16.09 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 123.068 2.512 . . . . 25.0 114.318 176.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -78.25 -8.25 58.13 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.507 0.558 . . . . 25.0 112.507 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -85.15 -9.08 58.27 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.263 0.468 . . . . 25.0 112.263 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 59.3 mt -82.2 1.7 35.19 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -175.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.42 14.43 30.12 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 121.076 0.465 . . . . 25.0 110.532 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -90.48 154.47 19.62 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.781 -0.645 . . . . 25.0 110.72 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -79.55 -33.94 41.43 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.8 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.455 ' HD3' ' HB1' ' B' ' 544' ' ' ALA . 91.4 mtt-85 -70.67 -20.05 62.73 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 114.672 -1.149 . . . . 25.0 111.68 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 53.2 tpp -82.38 -37.95 24.87 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 122.92 0.488 . . . . 25.0 110.382 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.2 -21.17 66.04 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.578 0.751 . . . . 25.0 111.983 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -69.17 -43.08 74.97 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 112.458 0.54 . . . . 25.0 112.458 -176.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.547 HD23 ' CD2' ' A' ' 631' ' ' TYR . 0.5 OUTLIER -86.36 -21.95 26.93 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.476 0.179 . . . . 25.0 111.184 179.597 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 16.6 t -55.86 -32.32 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 N-CA-C 109.349 -0.612 . . . . 25.0 109.349 167.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -81.36 -19.01 43.62 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.573 -1.194 . . . . 25.0 111.467 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.547 ' CD2' HD23 ' A' ' 628' ' ' LEU . 20.3 m-30 -77.56 -38.38 48.66 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.024 -0.534 . . . . 25.0 110.502 171.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 1.068 ' HB1' HD13 ' A' ' 607' ' ' LEU . . . -80.12 -40.68 26.96 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.024 -0.535 . . . . 25.0 111.476 -176.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -53.16 -25.35 13.27 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -173.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.439 ' HE3' ' OD1' ' A' ' 638' ' ' ASP . 55.1 tptt -85.56 -35.57 20.99 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.955 0.502 . . . . 25.0 111.91 -177.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.644 ' O ' ' HG3' ' A' ' 639' ' ' MET . 9.7 m -71.21 -21.65 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 N-CA-C 113.455 0.909 . . . . 25.0 113.455 -163.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.544 ' OE1' HG23 ' A' ' 604' ' ' VAL . 4.1 pt-20 -68.76 -41.52 78.76 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 122.637 0.375 . . . . 25.0 111.378 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -78.72 -21.72 68.26 Favored Glycine 0 C--N 1.347 1.174 0 CA-C-N 115.928 -0.578 . . . . 25.0 113.773 -176.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 638' ' ' ASP . . . . . 0.439 ' OD1' ' HE3' ' A' ' 634' ' ' LYS . 94.8 m-20 -78.6 -18.94 53.79 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 122.439 0.295 . . . . 25.0 111.302 176.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.644 ' HG3' ' O ' ' A' ' 635' ' ' VAL . 27.8 mtm -76.69 -20.74 56.28 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.243 -0.435 . . . . 25.0 111.501 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.566 ' CD2' ' C ' ' A' ' 640' ' ' TYR . 0.5 OUTLIER -73.43 -31.3 63.76 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.749 -0.66 . . . . 25.0 111.585 -176.762 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -88.52 -21.49 24.11 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.102 -0.499 . . . . 25.0 111.999 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 67.2 p -96.02 -36.19 11.12 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.257 0.466 . . . . 25.0 112.257 -176.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.6 142.36 27.9 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -178.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -107.52 -20.68 13.17 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.672 -0.695 . . . . 25.0 110.752 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.2 p -131.68 156.12 46.44 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.007 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -74.26 -18.61 60.7 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.069 -0.514 . . . . 25.0 112.175 -173.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -81.21 -23.09 38.36 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.212 0.32 . . . . 25.0 110.645 175.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -86.55 -43.09 12.98 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.096 -0.502 . . . . 25.0 109.817 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -50.34 -57.77 7.18 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.985 0.914 . . . . 25.0 111.599 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.423 ' HE2' HD11 ' A' ' 599' ' ' LEU . 24.3 m-85 -63.33 -15.18 56.54 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.06 0.763 . . . . 25.0 113.06 177.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -22.94 33.46 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.411 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 86.8 mt -70.93 -45.42 64.24 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 177.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 603' ' ' LEU . 0.3 OUTLIER -68.42 -30.03 68.83 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 112.023 0.379 . . . . 25.0 112.023 177.478 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -78.68 -29.74 45.77 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.461 0.541 . . . . 25.0 112.461 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -76.96 -30.25 55.92 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.241 0.46 . . . . 25.0 112.241 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -71.57 -27.46 63.17 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.032 -0.729 . . . . 25.0 109.032 171.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 12.1 mt -72.22 -29.81 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 114.864 -1.062 . . . . 25.0 110.904 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -80.84 -36.78 31.04 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 123.074 0.234 . . . . 25.0 110.685 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -69.93 -34.72 73.84 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.891 0.476 . . . . 25.0 112.139 -178.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.425 HD13 HG12 ' A' ' 611' ' ' ILE . 69.4 mt -78.16 -35.32 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-N 116.132 -0.486 . . . . 25.0 110.159 178.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -69.96 -22.84 63.13 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.997 -0.547 . . . . 25.0 112.237 175.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -71.55 -28.81 64.11 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.9 -43.77 24.15 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 123.248 0.619 . . . . 25.0 111.166 -178.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 667' ' ' LYS . 87.3 mt -68.86 -19.65 64.25 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.789 0.663 . . . . 25.0 112.789 178.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -75.89 -17.43 59.79 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.429 0.292 . . . . 25.0 111.665 176.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.71 -20.89 60.4 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.26 -0.427 . . . . 25.0 111.061 174.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 664' ' ' LEU . 4.2 mptt -85.22 -18.06 35.17 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.879 -0.601 . . . . 25.0 110.665 174.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -86.93 -16.56 35.54 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.711 -0.677 . . . . 25.0 111.699 -177.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -87.84 -11.19 48.58 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.146 0.279 . . . . 25.0 111.38 -178.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 83.8 p -82.56 -10.37 59.01 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.137 0.421 . . . . 25.0 112.137 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -94.32 -4.55 48.45 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.465 -0.334 . . . . 25.0 111.365 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 C--O 1.25 1.116 0 CA-C-O 117.953 -1.022 . . . . 25.0 110.869 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.471 -0.252 . . . . 25.0 112.471 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 31.4 t -108.4 134.28 20.28 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-O 119.514 -0.279 . . . . 25.0 110.794 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -71.58 136.16 27.73 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.463 2.109 . . . . 25.0 113.55 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 145.53 127.77 1.95 Allowed Glycine 0 C--N 1.338 0.676 0 CA-C-N 115.905 -0.589 . . . . 25.0 112.815 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 62.1 t80 58.96 100.01 0.04 OUTLIER Pre-proline 0 N--CA 1.484 1.249 0 C-N-CA 124.146 0.978 . . . . 25.0 111.881 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.31 145.85 73.38 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.65 2.233 . . . . 25.0 113.074 177.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -124.97 126.58 45.7 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.866 -0.606 . . . . 25.0 110.167 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -179.41 123.12 0.83 Allowed Glycine 0 C--N 1.338 0.668 0 CA-C-N 116.045 -0.525 . . . . 25.0 112.735 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 85.1 mt -118.91 -47.17 2.51 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.363 0.602 . . . . 25.0 110.116 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 97.9 mt -90.91 -21.17 21.52 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.379 -1.282 . . . . 25.0 109.761 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 57.8 m -132.27 79.82 1.88 Allowed 'General case' 0 C--O 1.239 0.535 0 CA-C-N 114.871 -1.059 . . . . 25.0 110.056 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -132.17 -44.29 0.15 Allowed Glycine 0 C--N 1.338 0.641 0 CA-C-N 115.487 -0.778 . . . . 25.0 112.952 -177.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -123.57 -10.08 7.91 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.006 0.431 . . . . 25.0 111.063 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -97.72 -5.24 35.53 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.399 -0.819 . . . . 25.0 111.802 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.42 -10.18 41.95 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.843 -1.071 . . . . 25.0 111.214 -178.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -80.65 -10.26 59.74 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.188 0.518 . . . . 25.0 112.216 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 87.2 p -62.41 -25.47 67.97 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.87 -1.059 . . . . 25.0 111.538 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 85.0 p -90.26 -30.18 17.69 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.744 -0.662 . . . . 25.0 112.311 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 66.5 mt -86.85 -33.68 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 123.204 0.315 . . . . 25.0 111.602 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.2 -11.46 59.41 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.604 0.594 . . . . 25.0 112.604 -176.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -102.24 -6.03 23.63 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.341 -0.845 . . . . 25.0 109.647 173.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 56.0 ttm -95.92 -36.17 11.18 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.134 -0.939 . . . . 25.0 109.608 175.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -84.01 -24.06 30.69 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.52 -0.764 . . . . 25.0 112.626 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -68.03 -26.49 65.9 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 120.64 0.257 . . . . 25.0 111.093 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.7 p -82.13 -24.75 34.92 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.835 -0.621 . . . . 25.0 111.324 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 544' ' ' ALA . . . . . 0.455 ' HB1' ' HD3' ' A' ' 624' ' ' ARG . . . -84.32 -22.77 30.52 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.243 -0.435 . . . . 25.0 112.07 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.721 HD13 ' CD2' ' A' ' 612' ' ' PHE . 94.0 mt -77.5 -25.94 50.78 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.242 0.46 . . . . 25.0 112.242 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.52 -29.05 21.62 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.403 -0.362 . . . . 25.0 111.185 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.6 p -75.39 -17.01 60.31 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.514 -0.766 . . . . 25.0 112.796 -178.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -88.82 -11.2 45.5 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.0 mt -102.75 -31.75 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 116.021 -0.536 . . . . 25.0 110.459 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 67.1 p -95.36 -37.25 11.04 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.29 0.369 . . . . 25.0 111.493 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.737 -0.649 . . . . 25.0 110.887 -179.828 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.451 -0.26 . . . . 25.0 112.451 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 63.6 t -90.21 136.21 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 110.061 -0.348 . . . . 25.0 110.061 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -91.29 131.6 36.69 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.78 -0.646 . . . . 25.0 111.226 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -112.37 165.05 12.55 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.677 -0.692 . . . . 25.0 110.427 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -70.31 -18.05 74.77 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 115.15 0.82 . . . . 25.0 115.15 -171.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -68.04 -38.04 82.06 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.578 0.584 . . . . 25.0 112.578 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -72.85 -13.05 61.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 122.325 0.25 . . . . 25.0 111.397 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -82.63 -22.28 34.76 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.99 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -115.76 -22.12 9.29 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.04 0.755 . . . . 25.0 113.04 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.514 HG13 HD23 ' A' ' 599' ' ' LEU . 77.3 t -81.81 126.36 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 120.961 0.41 . . . . 25.0 110.4 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 48.1 p -112.31 -174.31 2.43 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.128 -0.942 . . . . 25.0 111.351 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -72.54 -18.62 61.62 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.59 -0.732 . . . . 25.0 109.865 169.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -82.0 -33.45 30.11 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 115.756 -0.656 . . . . 25.0 111.484 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.514 HD23 HG13 ' A' ' 595' ' ' VAL . 32.5 tp -64.36 -48.14 76.65 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 117.673 0.215 . . . . 25.0 111.189 173.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.492 ' HG2' ' OE2' ' A' ' 636' ' ' GLU . 81.6 mtp180 -55.0 -28.3 50.98 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.02 0.528 . . . . 25.0 111.978 -176.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.8 p -82.17 -31.56 30.4 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.462 -0.79 . . . . 25.0 111.566 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -81.09 -27.13 35.75 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.69 0.396 . . . . 25.0 110.673 177.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 21.9 mt -67.01 -31.89 72.73 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.837 0.855 . . . . 25.0 110.569 172.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 28.0 t -83.48 -32.34 9.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 114.945 -1.025 . . . . 25.0 110.917 176.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.465 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 80.4 t60 -76.28 -16.8 59.71 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.231 0.332 . . . . 25.0 110.694 176.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -85.11 -26.2 27.05 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 122.135 0.969 . . . . 25.0 108.656 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.632 HD23 ' HB1' ' A' ' 632' ' ' ALA . 47.3 tp -87.18 -40.56 14.48 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 113.066 -1.879 . . . . 25.0 111.509 -176.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 77.7 t -76.66 -23.94 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.178 0.591 . . . . 25.0 111.322 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 609' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 97.0 mm-40 -80.27 -27.52 38.58 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.761 0.315 . . . . 25.0 110.939 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -74.67 -30.78 61.71 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.591 -0.731 . . . . 25.0 111.371 175.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.561 HG12 HG21 ' A' ' 660' ' ' ILE . 75.9 mt -83.19 -53.95 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-N 116.09 -0.505 . . . . 25.0 109.691 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.402 ' HE2' ' HB ' ' A' ' 614' ' ' THR . 25.0 t80 -139.54 104.37 7.05 Favored Pre-proline 0 CA--C 1.548 0.878 0 O-C-N 123.086 0.241 . . . . 25.0 110.568 171.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.53 131.5 9.46 Favored 'Trans proline' 0 C--N 1.373 1.868 0 C-N-CA 122.479 2.12 . . . . 25.0 112.825 175.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.402 ' HB ' ' HE2' ' A' ' 612' ' ' PHE . 7.9 t -151.04 126.87 4.97 Favored Pre-proline 0 CA--C 1.545 0.773 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -53.18 -50.13 15.09 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 123.798 2.999 . . . . 25.0 113.981 170.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 49.4 t0 -71.14 116.07 42.99 Favored Pre-proline 0 N--CA 1.473 0.694 0 CA-C-N 115.453 -0.794 . . . . 25.0 112.288 -177.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 58.4 Cg_endo -67.25 -10.54 29.0 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.719 2.28 . . . . 25.0 113.791 173.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -74.31 -10.14 59.29 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.753 0.649 . . . . 25.0 112.753 -176.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.18 -14.98 52.32 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 122.517 0.327 . . . . 25.0 111.68 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 72.4 mt -87.31 -0.27 56.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.875 -0.602 . . . . 25.0 112.012 -177.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -106.18 14.32 27.77 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.104 0.478 . . . . 25.0 110.595 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -87.66 159.82 18.37 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.805 -0.634 . . . . 25.0 110.898 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -73.26 -50.82 20.2 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.824 -0.625 . . . . 25.0 111.323 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -57.92 -30.63 66.08 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.453 0.701 . . . . 25.0 112.591 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.651 ' N ' HD21 ' B' ' 545' ' ' LEU . 50.5 tpp -81.46 -36.25 29.59 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.065 -0.516 . . . . 25.0 111.597 -177.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.78 -21.38 63.01 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -76.72 -25.2 53.28 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 120.718 0.294 . . . . 25.0 111.361 175.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 631' ' ' TYR . 79.5 mt -86.04 -42.15 14.21 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.834 -0.621 . . . . 25.0 109.877 175.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.64 -34.28 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 123.311 0.644 . . . . 25.0 110.654 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -79.07 -18.78 52.82 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.505 -0.77 . . . . 25.0 111.485 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 628' ' ' LEU . 17.3 m-30 -76.04 -37.2 58.61 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.931 -0.577 . . . . 25.0 110.742 172.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.632 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -83.55 -36.35 24.07 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.232 -0.44 . . . . 25.0 111.593 -178.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -67.51 -20.01 65.39 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.207 0.603 . . . . 25.0 111.228 177.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -85.85 -36.28 20.1 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.367 -0.833 . . . . 25.0 111.74 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.46 HG11 ' HD2' ' A' ' 656' ' ' LYS . 18.5 t -73.05 -45.05 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 112.681 0.622 . . . . 25.0 112.681 -172.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.492 ' OE2' ' HG2' ' A' ' 600' ' ' ARG . 13.8 tm-20 -57.08 -29.57 63.59 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.423 0.689 . . . . 25.0 111.953 -177.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.89 -25.05 75.71 Favored Glycine 0 C--N 1.347 1.19 0 O-C-N 123.205 0.316 . . . . 25.0 113.472 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -84.85 -19.08 32.95 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.717 0.407 . . . . 25.0 111.099 176.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.644 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 3.9 mtm -71.57 -35.87 70.73 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.145 -0.48 . . . . 25.0 112.104 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.422 ' CE2' ' HG3' ' A' ' 641' ' ' GLU . 0.0 OUTLIER -75.69 -24.56 56.27 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.126 -0.488 . . . . 25.0 110.735 178.8 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.422 ' HG3' ' CE2' ' A' ' 640' ' ' TYR . 75.0 mt-10 -88.64 -26.48 21.86 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.948 0.899 . . . . 25.0 111.086 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 85.7 p -96.45 -41.38 8.62 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.091 0.404 . . . . 25.0 112.091 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.41 140.83 29.13 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.678 0.275 . . . . 25.0 111.722 -176.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -109.77 -6.38 15.29 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.767 -0.651 . . . . 25.0 111.017 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 74.9 m -131.56 157.61 43.16 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.863 0.363 . . . . 25.0 110.585 -175.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -72.06 -29.81 64.5 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.542 -0.754 . . . . 25.0 111.909 -176.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.53 -23.52 37.2 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.236 0.335 . . . . 25.0 111.301 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -86.35 -39.89 15.99 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 122.594 0.358 . . . . 25.0 110.184 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -57.01 -51.03 70.88 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.236 0.614 . . . . 25.0 111.339 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -75.52 -16.02 60.33 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.386 0.884 . . . . 25.0 113.386 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -81.64 -46.81 13.84 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.074 0.15 . . . . 25.0 111.385 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 78.9 mt -51.73 -39.56 58.67 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.67 0.788 . . . . 25.0 112.901 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.644 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -72.59 -38.66 67.8 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.948 -0.569 . . . . 25.0 111.773 176.113 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.72 -24.96 64.53 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.333 -0.394 . . . . 25.0 111.23 175.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -74.38 -40.88 61.8 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.679 -0.691 . . . . 25.0 111.578 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.46 ' HD2' HG11 ' A' ' 635' ' ' VAL . 24.2 mttp -68.46 -24.95 64.76 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.777 -0.453 . . . . 25.0 109.777 174.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 5.2 mt -70.57 -31.99 48.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.477 -0.783 . . . . 25.0 110.224 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -85.34 -33.28 22.08 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.988 -0.551 . . . . 25.0 111.256 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -74.57 -33.06 62.59 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 -176.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.561 HG21 HG12 ' A' ' 611' ' ' ILE . 97.3 mt -76.04 -28.66 18.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.012 0.435 . . . . 25.0 109.841 176.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -69.38 -19.92 63.83 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.533 -0.758 . . . . 25.0 112.114 172.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -75.65 -40.23 56.48 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.648 0.379 . . . . 25.0 111.918 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -71.24 -43.05 68.04 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.915 0.486 . . . . 25.0 112.168 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.25 -19.24 64.38 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 112.488 0.551 . . . . 25.0 112.488 171.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -86.26 -23.93 26.17 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.445 0.298 . . . . 25.0 110.655 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -67.35 -25.76 66.15 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.866 0.466 . . . . 25.0 111.934 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -83.45 -17.85 40.65 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.175 -0.466 . . . . 25.0 111.211 175.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -86.01 -18.7 31.83 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.65 -0.704 . . . . 25.0 111.639 -176.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 52.4 mtm-85 -86.67 -16.64 35.95 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 123.243 0.339 . . . . 25.0 111.199 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 89.0 p -85.8 -5.5 59.24 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 112.103 0.409 . . . . 25.0 112.103 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -95.36 -7.24 39.12 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.352 -0.385 . . . . 25.0 111.442 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 72.8 mt . . . . . 0 C--O 1.253 1.289 0 CA-C-O 118.701 -0.666 . . . . 25.0 110.807 179.316 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.523 -0.231 . . . . 25.0 112.523 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 70.6 m -109.02 129.73 23.55 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-O 119.478 -0.296 . . . . 25.0 111.059 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -73.06 143.01 35.37 Favored 'Trans proline' 0 C--N 1.374 1.902 0 C-N-CA 122.37 2.047 . . . . 25.0 113.452 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -143.35 -103.37 0.45 Allowed Glycine 0 C--N 1.337 0.62 0 CA-C-N 115.877 -0.601 . . . . 25.0 112.522 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -106.1 132.77 20.62 Favored Pre-proline 0 CA--C 1.544 0.744 0 O-C-N 123.684 0.285 . . . . 25.0 111.304 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.4 136.68 22.09 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.295 1.997 . . . . 25.0 113.366 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -116.53 -39.94 3.27 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.888 -0.596 . . . . 25.0 110.576 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -122.13 107.14 1.13 Allowed Glycine 0 C--N 1.339 0.748 0 O-C-N 123.457 0.473 . . . . 25.0 112.297 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 95.7 mt -111.83 24.55 12.56 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 120.717 0.294 . . . . 25.0 111.446 -178.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.71 -7.39 15.29 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 121.15 0.5 . . . . 25.0 111.186 -177.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 18.4 t -147.89 74.69 1.32 Allowed 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.416 -0.811 . . . . 25.0 109.692 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -102.03 37.13 3.81 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 115.467 -0.788 . . . . 25.0 113.361 -176.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -130.91 -18.29 3.03 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.95 0.405 . . . . 25.0 111.102 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -103.3 -5.11 23.36 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.345 -0.843 . . . . 25.0 111.734 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -91.32 -9.87 43.41 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.893 -1.049 . . . . 25.0 111.437 -177.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -88.39 -12.03 44.41 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.354 0.262 . . . . 25.0 111.278 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 99.4 p -69.81 -22.56 63.29 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.391 -0.368 . . . . 25.0 111.529 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 87.6 p -89.53 -22.74 22.26 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.103 -0.499 . . . . 25.0 111.746 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 48.8 mm -86.65 -32.55 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 123.232 0.333 . . . . 25.0 111.251 -179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 538' ' ' ALA . . . . . 0.561 ' O ' ' HB2' ' B' ' 542' ' ' PHE . . . -81.28 -11.21 59.42 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 -171.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -106.42 -3.44 21.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.935 -0.575 . . . . 25.0 109.95 174.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 82.8 mtp -102.78 -29.43 11.48 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.189 -0.914 . . . . 25.0 110.682 173.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 541' ' ' ASP . . . . . 0.468 ' HB3' HD12 ' B' ' 545' ' ' LEU . 0.6 OUTLIER -95.55 -19.77 19.53 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.538 -0.755 . . . . 25.0 111.298 -177.248 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 542' ' ' PHE . . . . . 0.561 ' HB2' ' O ' ' B' ' 538' ' ' ALA . 50.4 t80 -69.65 -17.73 63.52 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 111.861 0.319 . . . . 25.0 111.861 -176.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 91.4 p -81.23 -40.0 24.48 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.417 0.448 . . . . 25.0 112.148 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.82 -21.96 29.66 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.364 -0.38 . . . . 25.0 111.329 176.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.651 HD21 ' N ' ' A' ' 625' ' ' MET . 33.5 mt -85.49 -24.98 27.13 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.436 -0.802 . . . . 25.0 112.23 -176.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 66.5 tp -87.65 -18.22 30.09 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 117.924 0.329 . . . . 25.0 111.461 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.8 p -75.6 -16.13 60.27 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.039 0.535 . . . . 25.0 112.097 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -76.64 -11.29 59.83 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 43.1 mm -95.54 -31.94 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.603 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 76.4 p -93.6 -37.86 11.65 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.273 0.358 . . . . 25.0 111.56 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 39.0 m . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.748 -0.644 . . . . 25.0 110.893 179.703 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 114.404 0.522 . . . . 25.0 114.404 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 55.9 p-90 -58.76 -36.46 74.42 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.317 0.647 . . . . 25.0 112.702 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -65.13 -39.23 92.74 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.033 0.533 . . . . 25.0 111.936 -175.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -90.82 -3.32 57.48 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.296 0.372 . . . . 25.0 111.583 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -103.52 -26.03 12.99 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.921 -0.581 . . . . 25.0 111.548 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.565 ' HA ' HD12 ' A' ' 599' ' ' LEU . 18.0 t -79.97 127.45 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 N-CA-C 110.058 -0.349 . . . . 25.0 110.058 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.411 ' H ' HD12 ' A' ' 599' ' ' LEU . 42.8 p -108.35 179.81 4.1 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.522 -0.763 . . . . 25.0 111.341 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.04 -18.16 56.18 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.738 -0.665 . . . . 25.0 110.286 170.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . 0.455 ' O ' ' HD2' ' A' ' 602' ' ' HIS . 73.5 m-20 -85.11 -28.22 25.73 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.927 -0.579 . . . . 25.0 111.074 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 595' ' ' VAL . 25.2 mt -69.11 -49.03 60.77 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 122.9 0.125 . . . . 25.0 111.069 173.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 604' ' ' VAL . 99.6 mtt180 -57.0 -21.84 33.83 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 -176.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 83.8 p -84.25 -32.58 24.37 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.16 -0.473 . . . . 25.0 111.293 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . 0.455 ' HD2' ' O ' ' A' ' 598' ' ' ASP . 90.6 m-70 -82.38 -20.31 37.42 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.828 0.451 . . . . 25.0 110.957 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.522 HD21 ' CE2' ' A' ' 650' ' ' TYR . 13.0 mt -74.44 -32.91 62.79 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.821 0.848 . . . . 25.0 110.378 176.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 600' ' ' ARG . 96.7 t -83.02 -32.74 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-N 114.857 -1.065 . . . . 25.0 110.299 176.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -74.67 -16.96 60.75 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.143 -0.48 . . . . 25.0 110.236 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -83.83 -24.77 30.8 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.369 -0.832 . . . . 25.0 109.042 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.409 HD11 ' CD1' ' A' ' 653' ' ' LEU . 2.4 mt -86.69 -39.71 15.78 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.164 -1.38 . . . . 25.0 111.642 -177.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 3.6 p -73.4 -24.3 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 122.99 0.516 . . . . 25.0 111.42 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -81.8 -26.91 33.99 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.613 0.244 . . . . 25.0 111.557 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -80.62 -34.23 35.24 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.892 -0.595 . . . . 25.0 111.585 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.52 HG12 HG21 ' A' ' 660' ' ' ILE . 95.2 mt -77.17 -48.99 23.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 116.245 -0.434 . . . . 25.0 109.929 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.425 ' CD2' HD13 ' B' ' 545' ' ' LEU . 67.3 t80 -141.74 114.42 6.6 Favored Pre-proline 0 CA--C 1.547 0.833 0 O-C-N 123.241 0.338 . . . . 25.0 110.277 172.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . 0.475 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 51.8 Cg_exo -63.61 141.13 78.54 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 122.383 2.055 . . . . 25.0 112.241 173.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 616' ' ' ASP . 27.1 m -90.04 113.24 56.45 Favored Pre-proline 0 C--O 1.237 0.418 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 84.6 Cg_exo -62.61 -52.98 2.0 Allowed 'Trans proline' 0 C--N 1.368 1.567 0 C-N-CA 123.489 2.793 . . . . 25.0 112.588 168.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.461 ' OD1' ' HD2' ' A' ' 617' ' ' PRO . 7.6 t70 -126.27 142.33 42.46 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 114.929 -1.032 . . . . 25.0 111.045 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.461 ' HD2' ' OD1' ' A' ' 616' ' ' ASP . 42.4 Cg_exo -57.58 -12.77 12.0 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 123.883 3.055 . . . . 25.0 113.986 174.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -82.88 -19.61 37.1 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -66.0 -18.47 65.36 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.471 0.545 . . . . 25.0 112.471 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 95.7 mt -79.19 -12.17 59.97 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.244 0.461 . . . . 25.0 112.244 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -106.04 14.71 27.46 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.058 0.456 . . . . 25.0 110.435 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -86.4 163.2 17.75 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.817 -0.629 . . . . 25.0 110.905 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.16 -52.81 9.32 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 122.737 0.415 . . . . 25.0 111.586 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 16.4 mmm-85 -61.06 -30.18 70.17 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 61.6 tpp -72.81 -40.31 65.96 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.489 0.316 . . . . 25.0 110.853 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . 0.436 ' HA ' ' HB ' ' A' ' 629' ' ' VAL . 38.8 tt0 -64.47 -20.12 65.99 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.919 0.711 . . . . 25.0 112.919 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -68.72 -41.87 78.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 93.2 mt -86.29 -21.77 27.14 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.566 0.222 . . . . 25.0 110.722 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.531 HG12 ' HD2' ' A' ' 633' ' ' LYS . 2.2 t -55.26 -32.77 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 109.383 -0.599 . . . . 25.0 109.383 167.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -77.98 -18.93 55.38 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 114.508 -1.224 . . . . 25.0 111.522 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 42.3 t80 -75.91 -42.68 48.21 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.086 -0.506 . . . . 25.0 110.154 169.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.1 -23.83 30.59 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.411 0.444 . . . . 25.0 112.048 -174.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.531 ' HD2' HG12 ' A' ' 629' ' ' VAL . 32.0 mttt -67.78 -24.6 65.34 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.093 0.473 . . . . 25.0 111.284 174.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -85.87 -36.55 19.89 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.001 -1.0 . . . . 25.0 112.217 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.81 -35.73 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -168.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.411 ' HA ' ' SD ' ' A' ' 639' ' ' MET . 9.2 tm-20 -51.71 -38.31 54.61 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.884 0.473 . . . . 25.0 112.199 -177.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.36 -19.64 77.69 Favored Glycine 0 C--N 1.347 1.174 0 CA-C-N 116.002 -0.544 . . . . 25.0 113.569 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -82.35 -19.37 39.41 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.53 0.332 . . . . 25.0 110.495 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.435 ' HG2' ' HB2' ' A' ' 652' ' ' LEU . 2.7 mtp -82.77 -22.93 34.14 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.278 -0.419 . . . . 25.0 111.351 175.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -77.22 -31.74 55.38 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.964 -0.562 . . . . 25.0 111.273 -176.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -89.06 -26.03 21.62 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.995 -0.548 . . . . 25.0 111.864 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 91.2 p -95.31 -39.67 9.93 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.664 0.616 . . . . 25.0 112.664 -173.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.35 145.95 24.56 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 111.847 0.314 . . . . 25.0 111.847 -176.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -116.77 -6.22 11.55 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.683 -0.689 . . . . 25.0 111.876 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 80.1 p -132.6 163.94 27.77 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.526 -0.307 . . . . 25.0 110.928 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 73.5 ttt-85 -72.7 -28.28 62.58 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.941 -0.572 . . . . 25.0 111.459 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.38 -25.28 36.42 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 123.252 0.345 . . . . 25.0 111.565 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -86.08 -45.36 11.47 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 110.183 -0.303 . . . . 25.0 110.183 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -52.89 -55.1 25.72 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.372 0.669 . . . . 25.0 111.491 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.522 ' CE2' HD21 ' A' ' 603' ' ' LEU . 13.0 m-30 -67.83 -16.13 63.95 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 177.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -84.63 -36.87 21.7 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.487 0.315 . . . . 25.0 111.758 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.435 ' HB2' ' HG2' ' A' ' 639' ' ' MET . 85.3 mt -65.71 -37.02 85.26 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.017 0.527 . . . . 25.0 112.112 178.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.409 ' CD1' HD11 ' A' ' 607' ' ' LEU . 6.2 tt -72.96 -27.68 61.97 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.994 -0.548 . . . . 25.0 112.019 172.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -82.02 -28.0 32.76 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.279 0.474 . . . . 25.0 112.279 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -71.85 -35.77 69.95 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -65.02 -29.75 70.68 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 171.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 4.3 mt -68.88 -38.97 79.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-N 115.242 -0.89 . . . . 25.0 111.129 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -84.49 -29.22 26.18 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.957 0.408 . . . . 25.0 110.446 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -74.88 -28.22 60.56 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 115.152 -0.931 . . . . 25.0 112.277 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.52 HG21 HG12 ' A' ' 611' ' ' ILE . 91.0 mt -82.27 -27.58 9.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 175.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -65.19 -19.4 65.96 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.709 -0.678 . . . . 25.0 112.236 173.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -73.56 -43.02 60.85 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 122.862 0.465 . . . . 25.0 112.056 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -70.09 -39.49 75.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 122.978 0.511 . . . . 25.0 112.339 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.17 -21.65 66.35 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.299 0.481 . . . . 25.0 112.299 172.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 CA--C 1.542 0.643 0 C-N-CA 122.615 0.366 . . . . 25.0 110.929 178.851 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 CA--C 1.531 0.249 0 CA-C-O 120.778 0.323 . . . . 25.0 110.679 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 81.5 mt -86.82 -25.65 6.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 115.362 -0.836 . . . . 25.0 111.251 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.26 -11.3 59.41 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.771 0.656 . . . . 25.0 112.771 -175.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -102.5 -11.18 18.74 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.366 -0.834 . . . . 25.0 109.614 173.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 92.8 mtp -89.25 -29.01 19.53 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.255 -0.884 . . . . 25.0 110.926 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -90.95 -21.15 21.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.84 -0.618 . . . . 25.0 111.629 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -76.85 -28.01 55.32 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.102 0.251 . . . . 25.0 110.98 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 77.1 p -81.78 -24.78 35.77 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.097 -0.501 . . . . 25.0 111.616 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.29 -22.58 30.65 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.184 0.438 . . . . 25.0 112.184 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 545' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' A' ' 612' ' ' PHE . 79.1 mt -81.05 -22.91 38.94 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.49 -32.33 19.51 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.834 0.349 . . . . 25.0 110.989 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.6 p -76.27 -16.95 59.68 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.481 -0.782 . . . . 25.0 112.523 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -91.98 -11.61 35.61 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.827 0.677 . . . . 25.0 112.827 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 86.4 mt -101.93 -32.95 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.22 -0.445 . . . . 25.0 111.956 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 95.4 p -99.13 -34.6 10.31 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 123.317 0.386 . . . . 25.0 111.25 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 117.978 -1.01 . . . . 25.0 112.26 179.777 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.814 0 CA-C-O 120.046 -0.308 . . . . 25.0 113.856 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' TRP . . . . . 0.506 ' CZ3' ' HD2' ' A' ' 646' ' ' ARG . 91.0 m95 -84.46 -18.6 35.37 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -178.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -80.86 -13.25 59.1 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.352 -0.385 . . . . 25.0 111.64 171.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -76.96 -38.87 52.42 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.303 0.483 . . . . 25.0 112.303 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -90.16 -20.58 22.92 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.147 0.28 . . . . 25.0 111.695 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 52.8 t -85.24 128.51 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 73.2 p -111.12 -176.67 3.01 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.649 -0.705 . . . . 25.0 111.845 -176.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -78.69 -17.76 55.41 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.337 -0.847 . . . . 25.0 110.029 170.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -83.02 -25.29 32.31 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.846 -0.616 . . . . 25.0 111.138 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 3.2 tp -66.61 -50.35 63.29 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 122.885 0.116 . . . . 25.0 111.281 172.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -58.09 -22.39 50.29 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 -174.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.9 p -83.82 -31.91 25.58 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 123.408 0.443 . . . . 25.0 111.247 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -80.5 -22.99 40.43 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.008 0.523 . . . . 25.0 110.572 176.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.418 HD21 ' CE2' ' A' ' 650' ' ' TYR . 6.6 mt -74.9 -32.59 61.87 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.113 -0.949 . . . . 25.0 110.126 174.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 11.6 t -83.49 -31.15 8.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 114.951 -1.022 . . . . 25.0 110.918 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 38.0 m170 -76.64 -16.91 59.43 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 120.896 0.379 . . . . 25.0 110.661 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -85.29 -26.42 26.62 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 122.077 0.941 . . . . 25.0 108.817 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.528 HD22 HD11 ' A' ' 653' ' ' LEU . 23.0 tp -87.58 -40.35 14.32 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 113.071 -1.877 . . . . 25.0 111.775 -176.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.07 -21.52 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 123.329 0.651 . . . . 25.0 111.365 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -83.14 -27.3 30.22 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.591 0.234 . . . . 25.0 111.289 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.9 -23.04 48.84 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.882 -0.599 . . . . 25.0 111.466 174.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.601 HG12 HG21 ' A' ' 660' ' ' ILE . 95.3 mt -87.4 -59.07 2.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 177.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -143.97 106.47 4.91 Favored Pre-proline 0 CA--C 1.547 0.855 0 N-CA-C 110.089 -0.337 . . . . 25.0 110.089 171.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -80.68 145.43 16.21 Favored 'Trans proline' 0 C--N 1.372 1.816 0 C-N-CA 121.999 1.799 . . . . 25.0 112.523 174.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 87.7 m -143.75 124.86 8.03 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 116.26 -0.427 . . . . 25.0 112.073 -177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -49.08 -52.17 9.24 Favored 'Trans proline' 0 C--N 1.372 1.78 0 C-N-CA 124.076 3.184 . . . . 25.0 114.108 171.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -86.07 116.36 65.46 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 115.423 -0.808 . . . . 25.0 111.727 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -63.28 -10.13 20.1 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.926 2.417 . . . . 25.0 114.057 174.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.29 -10.45 59.47 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -82.68 -16.88 46.51 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 122.548 0.339 . . . . 25.0 111.748 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.475 HD23 ' SD ' ' A' ' 625' ' ' MET . 97.6 mt -84.04 1.04 45.76 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.147 -0.479 . . . . 25.0 112.115 -177.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -104.57 14.63 29.58 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.933 0.397 . . . . 25.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -88.6 157.77 18.48 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.78 -0.646 . . . . 25.0 110.818 -177.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 16.7 mmp_? -78.65 -37.45 41.95 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.827 -176.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -72.42 -23.16 61.05 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 114.66 -1.155 . . . . 25.0 111.936 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.475 ' SD ' HD23 ' A' ' 620' ' ' LEU . 0.0 OUTLIER -88.97 -35.2 16.56 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 122.832 0.453 . . . . 25.0 110.844 178.318 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -54.68 -20.41 8.18 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.543 0.737 . . . . 25.0 112.699 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -66.34 -41.09 90.09 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 122.842 0.457 . . . . 25.0 111.828 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.595 HD23 ' CD2' ' A' ' 631' ' ' TYR . 91.5 mt -86.52 -27.86 23.75 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.985 0.178 . . . . 25.0 111.048 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.09 -34.51 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 170.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -77.35 -18.67 57.2 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.802 -1.09 . . . . 25.0 111.395 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . 0.595 ' CD2' HD23 ' A' ' 628' ' ' LEU . 5.6 m-30 -79.57 -34.65 40.69 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.679 -0.692 . . . . 25.0 110.693 172.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.411 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -84.6 -35.57 22.65 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.156 -0.475 . . . . 25.0 112.24 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -66.4 -26.05 67.06 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.929 0.492 . . . . 25.0 112.273 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -85.25 -30.01 24.17 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.785 0.661 . . . . 25.0 112.785 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.445 ' O ' ' HG3' ' A' ' 639' ' ' MET . 77.6 t -73.99 -36.73 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 111.583 0.216 . . . . 25.0 111.583 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.81 -30.55 71.56 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.074 0.549 . . . . 25.0 111.368 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -82.94 -21.18 59.74 Favored Glycine 0 C--N 1.346 1.132 0 O-C-N 123.486 0.491 . . . . 25.0 113.357 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -83.93 -18.63 36.69 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 122.779 0.432 . . . . 25.0 110.584 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.734 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 9.1 mtm -70.23 -25.23 63.29 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.802 0.667 . . . . 25.0 112.802 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -74.99 -33.48 61.86 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 111.65 0.241 . . . . 25.0 111.65 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -88.34 -19.62 26.44 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.956 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 95.3 p -96.15 -33.91 11.87 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.235 0.334 . . . . 25.0 111.771 -177.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -95.95 141.55 29.24 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.195 0.309 . . . . 25.0 111.631 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -112.31 -8.18 13.95 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.802 -0.635 . . . . 25.0 111.981 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 94.4 p -132.7 171.59 13.66 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.311 -0.404 . . . . 25.0 110.953 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.506 ' HD2' ' CZ3' ' A' ' 591' ' ' TRP . 79.1 ttt-85 -76.87 -33.69 57.84 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -81.06 -20.08 42.38 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 123.167 0.292 . . . . 25.0 111.587 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -85.86 -37.38 19.23 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.864 -0.421 . . . . 25.0 109.864 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -58.46 -55.82 30.11 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.273 0.629 . . . . 25.0 111.385 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.418 ' CE2' HD21 ' A' ' 603' ' ' LEU . 62.5 m-85 -72.82 -17.84 61.52 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.557 0.947 . . . . 25.0 113.557 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -84.66 -40.25 17.63 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 111.782 0.29 . . . . 25.0 111.782 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 36.0 mt -54.08 -42.97 69.93 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.403 0.681 . . . . 25.0 112.61 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.734 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -68.39 -33.5 74.36 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.882 -0.599 . . . . 25.0 111.697 174.399 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.435 ' O ' ' CD1' ' A' ' 658' ' ' TYR . . . -72.67 -25.81 61.4 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.194 -0.457 . . . . 25.0 111.325 175.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -67.58 -45.44 75.54 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.856 -0.611 . . . . 25.0 112.195 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -68.14 -24.81 65.04 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 1.7 mt -72.9 -29.38 29.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 CA-C-N 115.53 -0.759 . . . . 25.0 110.011 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . 0.435 ' CD1' ' O ' ' A' ' 654' ' ' ALA . 35.0 m-85 -84.71 -32.65 23.41 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.079 -0.51 . . . . 25.0 110.999 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -78.87 -31.38 45.52 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 123.534 0.521 . . . . 25.0 112.388 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.601 HG21 HG12 ' A' ' 611' ' ' ILE . 96.7 mt -76.97 -28.55 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.719 -0.475 . . . . 25.0 109.719 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -70.12 -19.66 63.22 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.345 -0.843 . . . . 25.0 112.078 172.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -77.62 -40.79 40.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.758 0.423 . . . . 25.0 111.777 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -73.59 -41.71 62.51 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.009 0.524 . . . . 25.0 111.66 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.5 -18.51 62.28 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.334 -0.848 . . . . 25.0 112.255 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 N--CA 1.474 0.762 0 C-N-CA 123.011 0.524 . . . . 25.0 111.484 178.765 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 111.366 0.135 . . . . 25.0 111.366 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 66.9 mt -86.81 -30.84 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 116.339 -0.391 . . . . 25.0 111.102 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.98 -11.65 58.75 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.831 0.678 . . . . 25.0 112.831 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -98.73 -14.07 19.93 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.414 -0.812 . . . . 25.0 109.824 175.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 96.1 mtp -92.11 -27.8 17.51 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.264 -0.88 . . . . 25.0 110.888 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -92.57 -19.56 21.81 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.518 -0.764 . . . . 25.0 111.752 -177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -73.64 -25.52 60.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.457 0.17 . . . . 25.0 111.21 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.8 p -81.81 -25.49 35.17 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.115 -0.493 . . . . 25.0 111.624 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.2 -22.81 30.78 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.275 -0.42 . . . . 25.0 112.009 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 58.9 mt -83.37 -16.55 45.57 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.553 0.575 . . . . 25.0 112.553 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 93.5 mt -77.68 -43.33 31.57 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.915 0.388 . . . . 25.0 110.817 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.6 p -76.81 -16.21 59.51 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.251 -0.886 . . . . 25.0 111.944 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -74.64 -27.52 60.48 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.122 0.569 . . . . 25.0 112.188 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 40.8 pt -104.89 -19.47 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 115.764 -0.653 . . . . 25.0 112.27 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 81.0 p -94.74 -38.1 10.95 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.364 0.415 . . . . 25.0 111.369 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 117.954 -1.022 . . . . 25.0 110.866 179.767 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.858 0 N-CA-C 114.332 0.493 . . . . 25.0 114.332 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' TRP . . . . . 0.494 ' HD1' ' H ' ' A' ' 592' ' ' HIS . 0.3 OUTLIER -68.31 -34.85 76.87 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.666 0.617 . . . . 25.0 112.666 -177.492 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' HIS . . . . . 0.494 ' H ' ' HD1' ' A' ' 591' ' ' TRP . 61.4 t-80 -71.05 -12.92 61.78 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 122.595 0.358 . . . . 25.0 111.623 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -83.0 -25.67 32.0 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -112.22 -23.65 10.28 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.882 0.697 . . . . 25.0 112.882 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.508 HG22 HD23 ' A' ' 599' ' ' LEU . 77.5 t -79.82 125.83 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 120.851 0.358 . . . . 25.0 110.156 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 66.8 p -112.45 -176.48 2.92 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.325 -0.852 . . . . 25.0 111.238 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -71.4 -18.69 62.33 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.55 -0.75 . . . . 25.0 110.025 166.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -83.3 -39.06 21.29 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 116.148 -0.478 . . . . 25.0 112.171 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.508 HD23 HG22 ' A' ' 595' ' ' VAL . 60.3 tp -62.75 -47.13 84.9 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 111.843 0.312 . . . . 25.0 111.843 177.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -57.61 -29.46 64.54 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.748 0.419 . . . . 25.0 111.66 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 69.6 p -80.55 -25.92 38.32 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.346 -0.843 . . . . 25.0 111.138 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -84.67 -20.31 31.47 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.01 -0.541 . . . . 25.0 110.894 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 35.7 mt -78.63 -37.13 42.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.56 0.744 . . . . 25.0 109.674 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 53.5 t -71.52 -35.61 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 114.728 -1.124 . . . . 25.0 110.65 171.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -74.92 -17.22 60.6 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.857 0.361 . . . . 25.0 110.388 175.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -83.22 -22.7 33.06 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.438 -0.801 . . . . 25.0 109.178 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.499 HD23 ' HB1' ' A' ' 632' ' ' ALA . 3.2 tp -86.53 -43.59 12.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.13 -1.396 . . . . 25.0 111.5 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 63.7 t -71.02 -24.3 24.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.344 0.657 . . . . 25.0 111.414 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -84.9 -26.89 27.0 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.575 0.226 . . . . 25.0 111.285 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -75.66 -28.77 58.86 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.889 -0.596 . . . . 25.0 111.286 174.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 51.9 mt -91.25 -41.29 13.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 116.088 -0.506 . . . . 25.0 109.764 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -134.59 100.69 12.26 Favored Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 122.79 0.436 . . . . 25.0 110.205 174.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.3 133.68 13.5 Favored 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.418 2.079 . . . . 25.0 112.492 174.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.23 126.87 5.65 Favored Pre-proline 0 CA--C 1.543 0.704 0 CA-C-N 116.357 -0.383 . . . . 25.0 111.924 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -52.85 -52.45 8.81 Favored 'Trans proline' 0 C--N 1.371 1.73 0 C-N-CA 123.814 3.01 . . . . 25.0 114.067 172.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 41.6 t0 -86.83 121.69 71.73 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 115.561 -0.745 . . . . 25.0 112.163 -176.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 55.5 Cg_endo -63.46 -10.23 20.92 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 123.037 2.491 . . . . 25.0 114.085 173.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.13 -8.19 57.07 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.852 0.686 . . . . 25.0 112.852 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.62 -7.94 59.65 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.208 0.447 . . . . 25.0 112.208 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 98.4 mt -82.98 4.03 27.63 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.925 -0.58 . . . . 25.0 112.527 -174.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -98.8 15.25 26.04 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.055 0.455 . . . . 25.0 111.337 -176.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -81.73 154.42 26.03 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.63 -0.713 . . . . 25.0 111.047 -177.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -83.44 -37.17 23.55 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.865 -175.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 -66.8 -22.09 66.03 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.077 -0.965 . . . . 25.0 111.953 176.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.519 ' HG3' HG23 ' A' ' 629' ' ' VAL . 26.2 tpp -79.19 -40.68 30.2 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.23 0.612 . . . . 25.0 111.399 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -54.8 -21.13 10.2 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 112.613 0.597 . . . . 25.0 112.613 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -79.99 -28.51 39.47 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.51 0.324 . . . . 25.0 111.467 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 65.1 tp -86.04 -42.27 14.1 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.004 0.522 . . . . 25.0 110.203 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.519 HG23 ' HG3' ' A' ' 625' ' ' MET . 54.5 t -57.43 -29.44 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.193 0.597 . . . . 25.0 110.784 174.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -78.0 -18.71 55.59 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.874 -0.603 . . . . 25.0 111.53 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . 0.456 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 15.5 t80 -76.54 -40.77 48.88 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.531 171.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.499 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -84.2 -21.73 31.16 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 123.208 0.318 . . . . 25.0 111.788 -176.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.483 ' HD2' HG12 ' A' ' 629' ' ' VAL . 46.3 mttt -70.88 -24.42 62.49 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.913 0.387 . . . . 25.0 111.618 175.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -85.31 -33.73 22.03 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.344 -0.843 . . . . 25.0 111.817 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.602 ' O ' ' HG3' ' A' ' 639' ' ' MET . 96.1 t -75.86 -31.96 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 112.423 0.527 . . . . 25.0 112.423 -173.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -70.13 -28.91 65.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.499 0.32 . . . . 25.0 111.464 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -82.06 -22.05 59.96 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 116.315 -0.402 . . . . 25.0 113.281 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -84.92 -18.86 33.36 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.726 0.411 . . . . 25.0 110.496 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.801 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 2.9 mtm -69.76 -32.86 71.62 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.427 0.691 . . . . 25.0 112.694 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -78.47 -25.18 45.74 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.092 0.245 . . . . 25.0 111.319 -176.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -88.35 -22.69 23.68 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.25 -0.432 . . . . 25.0 111.502 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 p -96.15 -30.05 13.73 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.252 -0.431 . . . . 25.0 111.973 -177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . 0.403 ' O ' ' CH2' ' A' ' 591' ' ' TRP . . . -99.98 151.81 20.91 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.866 0.321 . . . . 25.0 111.866 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -121.0 -13.5 8.58 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.726 -0.67 . . . . 25.0 110.974 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 94.3 p -131.57 173.0 11.56 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.534 -0.303 . . . . 25.0 111.115 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.519 ' HG3' ' CE1' ' A' ' 650' ' ' TYR . 16.6 ttt-85 -75.23 -32.47 61.15 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.804 0.441 . . . . 25.0 111.673 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -80.38 -21.84 41.91 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 111.97 0.359 . . . . 25.0 111.97 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -86.6 -42.73 13.22 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 110.128 -0.323 . . . . 25.0 110.128 175.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -57.3 -51.42 69.44 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.252 0.621 . . . . 25.0 111.726 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.519 ' CE1' ' HG3' ' A' ' 646' ' ' ARG . 35.8 m-85 -75.74 -17.32 59.95 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.649 0.981 . . . . 25.0 113.649 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -84.85 -36.61 21.46 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 111.728 0.27 . . . . 25.0 111.728 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 43.8 mt -57.7 -39.12 76.47 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.603 0.761 . . . . 25.0 112.393 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.801 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -73.67 -34.83 65.08 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.635 -0.711 . . . . 25.0 112.277 174.275 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -75.3 -27.68 59.42 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -74.91 -30.84 61.39 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -71.09 -29.52 65.4 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 171.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 1.8 mt -69.56 -30.55 45.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.168 -0.924 . . . . 25.0 110.662 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -85.19 -34.28 22.1 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.231 -0.441 . . . . 25.0 111.275 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -75.11 -33.95 61.65 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 -177.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 80.9 mt -72.14 -32.75 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -71.34 -20.07 62.22 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.549 -0.751 . . . . 25.0 112.379 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -74.37 -38.47 63.17 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.16 0.429 . . . . 25.0 112.16 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -74.06 -44.1 55.43 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.189 0.596 . . . . 25.0 111.403 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.23 -19.2 61.75 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.849 -0.614 . . . . 25.0 112.16 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.542 0.672 0 C-N-CA 122.769 0.427 . . . . 25.0 110.992 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.464 0.274 0 N-CA-C 112.014 0.375 . . . . 25.0 112.014 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.6 mt -86.04 -40.02 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 112.025 0.38 . . . . 25.0 112.025 -174.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -79.2 -15.79 57.52 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.559 0.577 . . . . 25.0 112.559 -176.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -92.09 -25.68 18.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.447 -0.797 . . . . 25.0 109.633 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 92.9 mtp -75.75 -21.48 57.42 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.81 -0.632 . . . . 25.0 110.549 169.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -79.99 -54.87 5.39 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.175 -0.92 . . . . 25.0 111.405 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.11 -18.79 60.76 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 -173.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.9 p -78.85 -23.18 45.14 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.383 0.427 . . . . 25.0 111.313 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -81.97 -31.91 30.95 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.293 -0.412 . . . . 25.0 111.18 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 4.4 mt -84.05 -14.18 51.2 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.823 -0.626 . . . . 25.0 111.333 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 47.6 tp -74.92 -38.54 61.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.751 -0.659 . . . . 25.0 111.245 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.5 p -76.05 -16.46 59.93 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.696 -0.683 . . . . 25.0 112.004 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -78.85 -11.23 59.99 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 66.1 mt -98.07 -32.63 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 116.008 -0.542 . . . . 25.0 110.523 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 78.4 p -95.48 -40.39 9.5 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.247 0.342 . . . . 25.0 111.549 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.765 -0.636 . . . . 25.0 110.595 -179.801 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 CA-C-O 119.696 -0.502 . . . . 25.0 114.165 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 12.4 p-90 -84.21 -33.28 24.17 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.988 0.394 . . . . 25.0 111.48 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -63.97 -41.3 97.58 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.503 0.721 . . . . 25.0 111.984 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -84.61 -10.54 57.27 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 123.182 0.301 . . . . 25.0 111.703 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -95.06 -26.18 16.16 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.699 -0.682 . . . . 25.0 111.445 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.586 HG13 HD23 ' A' ' 599' ' ' LEU . 25.4 t -82.47 131.86 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 120.858 0.361 . . . . 25.0 110.367 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 81.8 p -104.4 176.57 5.11 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.404 -0.817 . . . . 25.0 111.568 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -78.14 -17.69 56.56 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.519 -0.764 . . . . 25.0 110.014 170.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -81.64 -24.09 36.56 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.703 -0.681 . . . . 25.0 110.915 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.586 HD23 HG13 ' A' ' 595' ' ' VAL . 15.5 tp -67.38 -49.79 62.42 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.05 0.218 . . . . 25.0 111.272 173.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -59.83 -22.15 61.86 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -175.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 95.2 p -84.12 -28.52 27.43 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.162 -0.472 . . . . 25.0 111.155 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -84.35 -20.52 31.85 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.068 -0.515 . . . . 25.0 110.834 178.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 42.6 mt -76.56 -35.78 58.01 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.446 0.699 . . . . 25.0 109.867 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 53.5 t -71.94 -39.2 66.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 114.783 -1.098 . . . . 25.0 110.698 172.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -71.96 -17.53 62.06 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.355 0.409 . . . . 25.0 110.621 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -85.27 -22.48 28.58 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.518 -0.764 . . . . 25.0 109.226 175.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 13.1 mt -86.88 -40.66 14.66 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 114.278 -1.328 . . . . 25.0 111.626 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.2 t -71.71 -25.59 24.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.361 0.665 . . . . 25.0 111.512 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -81.12 -26.71 35.94 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 120.615 0.245 . . . . 25.0 111.65 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -78.31 -35.54 47.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.857 -0.611 . . . . 25.0 111.596 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.459 HG12 HG21 ' A' ' 660' ' ' ILE . 91.7 mt -77.76 -49.57 21.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 109.827 -0.434 . . . . 25.0 109.827 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.517 ' CZ ' ' HB3' ' B' ' 545' ' ' LEU . 57.4 t80 -140.36 103.3 6.6 Favored Pre-proline 0 CA--C 1.551 0.989 0 O-C-N 123.233 0.333 . . . . 25.0 110.287 172.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -75.94 136.02 18.07 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.434 2.089 . . . . 25.0 112.505 174.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.8 t -148.94 126.14 5.53 Favored Pre-proline 0 CA--C 1.544 0.748 0 N-CA-C 112.119 0.414 . . . . 25.0 112.119 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -49.9 -53.87 6.37 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 124.109 3.206 . . . . 25.0 114.379 172.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -80.38 117.31 67.11 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.492 -0.776 . . . . 25.0 112.33 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -65.47 -10.32 25.77 Favored 'Trans proline' 0 C--N 1.376 1.981 0 C-N-CA 122.786 2.324 . . . . 25.0 113.946 172.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -74.78 -8.2 55.72 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.732 0.642 . . . . 25.0 112.732 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.42 -12.11 59.04 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 90.8 mt -85.15 2.85 41.79 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.393 0.516 . . . . 25.0 112.393 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -103.33 14.36 31.7 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.07 0.462 . . . . 25.0 110.655 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -87.76 153.63 21.2 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.755 -177.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.3 mmp_? -79.2 -37.08 39.1 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 115.429 -0.805 . . . . 25.0 110.882 -175.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -73.04 -21.46 60.8 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.784 -1.098 . . . . 25.0 112.378 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -86.67 -37.11 18.3 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.506 0.322 . . . . 25.0 111.211 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -53.73 -19.86 4.74 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.629 0.974 . . . . 25.0 113.629 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -68.82 -39.69 79.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.768 0.427 . . . . 25.0 111.723 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 79.0 mt -86.44 -31.06 21.6 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.513 0.197 . . . . 25.0 110.696 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 67.9 t -54.52 -34.92 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 123.21 0.604 . . . . 25.0 110.032 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -80.23 -18.48 49.34 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.756 -1.111 . . . . 25.0 111.545 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -73.88 -40.18 63.39 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.075 0.55 . . . . 25.0 110.741 172.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.68 -28.04 26.66 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.44 -0.345 . . . . 25.0 111.903 -177.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -61.54 -32.0 72.05 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.313 0.645 . . . . 25.0 112.252 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -87.07 -27.56 23.08 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.092 1.145 . . . . 25.0 114.092 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.71 -54.85 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 112.916 0.71 . . . . 25.0 112.916 -170.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -58.62 -20.62 49.04 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 113.453 0.909 . . . . 25.0 113.453 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.36 -23.41 78.1 Favored Glycine 0 C--N 1.345 1.035 0 C-N-CA 121.701 -0.285 . . . . 25.0 112.828 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -87.28 -19.44 28.26 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.876 0.47 . . . . 25.0 111.312 175.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.465 ' SD ' ' HB3' ' A' ' 653' ' ' LEU . 4.9 mtm -72.41 -20.77 61.37 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.898 0.479 . . . . 25.0 112.033 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -75.3 -34.45 61.29 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.959 -0.564 . . . . 25.0 111.371 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -88.82 -25.26 22.3 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.182 -0.463 . . . . 25.0 112.115 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 m -86.63 -45.93 10.56 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.905 0.335 . . . . 25.0 111.905 -175.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -84.74 147.28 26.96 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.276 0.36 . . . . 25.0 111.896 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -107.82 -13.12 15.07 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.723 -0.671 . . . . 25.0 111.201 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.3 p -131.72 159.25 38.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.494 -0.321 . . . . 25.0 110.672 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -75.56 -25.18 56.88 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.894 -0.593 . . . . 25.0 111.839 -175.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -81.31 -23.28 37.96 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.29 0.368 . . . . 25.0 111.326 175.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -86.17 -44.03 12.54 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.201 -0.454 . . . . 25.0 109.993 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -53.9 -50.7 65.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.712 0.805 . . . . 25.0 111.487 178.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.735 ' HA ' HD23 ' A' ' 653' ' ' LEU . 20.3 m-30 -66.17 -16.42 63.96 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.194 0.813 . . . . 25.0 113.194 174.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -84.82 -29.34 25.44 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.398 0.518 . . . . 25.0 112.398 -175.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.45 -28.51 67.94 Favored 'General case' 0 C--N 1.349 0.566 0 N-CA-C 112.008 0.373 . . . . 25.0 112.008 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.735 HD23 ' HA ' ' A' ' 650' ' ' TYR . 0.2 OUTLIER -87.71 -29.9 20.75 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.21 0.319 . . . . 25.0 111.746 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.487 ' N ' ' HG ' ' A' ' 653' ' ' LEU . . . -76.2 -24.91 54.7 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.252 0.345 . . . . 25.0 111.699 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -79.02 -31.72 44.79 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -68.78 -29.72 68.15 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 109.07 -0.715 . . . . 25.0 109.07 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 4.3 mt -69.86 -39.0 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-N 115.405 -0.816 . . . . 25.0 111.186 -176.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -82.99 -29.0 29.31 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.915 0.388 . . . . 25.0 110.356 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -76.36 -34.17 58.94 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.216 -0.902 . . . . 25.0 112.41 -177.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.459 HG21 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -75.07 -30.21 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 N-CA-C 109.905 -0.406 . . . . 25.0 109.905 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -63.08 -19.73 64.69 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.334 -0.848 . . . . 25.0 112.656 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -77.89 -43.11 31.09 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.806 0.442 . . . . 25.0 111.459 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -63.56 -42.64 98.33 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.899 0.88 . . . . 25.0 112.051 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.45 -18.75 65.54 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.996 -0.547 . . . . 25.0 112.435 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.472 0.642 0 C-N-CA 122.247 0.219 . . . . 25.0 111.425 175.429 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 CA--C 1.534 0.358 0 N-CA-C 111.444 0.164 . . . . 25.0 111.444 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.4 mt -86.97 -49.52 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 123.219 0.325 . . . . 25.0 111.817 -174.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 538' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' B' ' 542' ' ' PHE . . . -74.75 -10.24 59.33 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -175.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -97.25 -14.17 21.55 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.288 -0.869 . . . . 25.0 110.14 174.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 80.6 mtp -89.07 -28.51 20.07 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.099 -0.501 . . . . 25.0 111.276 172.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -93.11 -22.32 19.16 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.808 -0.633 . . . . 25.0 112.628 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 542' ' ' PHE . . . . . 0.486 ' HB2' ' O ' ' B' ' 538' ' ' ALA . 44.8 t80 -72.4 -30.17 64.41 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 111.496 0.184 . . . . 25.0 111.496 -176.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 93.6 p -81.92 -28.84 32.6 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.22 -0.445 . . . . 25.0 111.021 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 544' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -79.04 -28.29 43.21 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.795 -0.639 . . . . 25.0 111.428 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 545' ' ' LEU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 612' ' ' PHE . 76.6 mt -83.45 -20.13 34.61 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.242 0.617 . . . . 25.0 110.927 173.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' B' ' 546' ' ' LEU . 7.4 mt -76.6 -30.96 57.18 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.597 -0.729 . . . . 25.0 110.739 177.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.6 p -76.96 -16.3 59.39 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.718 -0.674 . . . . 25.0 112.065 175.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 90.7 mm-40 -76.18 -16.35 59.87 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.492 0.552 . . . . 25.0 112.492 -177.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 38.3 pt -104.69 -17.42 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-N 116.174 -0.467 . . . . 25.0 112.104 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 87.1 p -100.83 -29.87 12.01 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.406 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 117.993 -1.003 . . . . 25.0 112.032 -179.346 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 CA-C-O 120.349 -0.139 . . . . 25.0 112.986 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' TRP . . . . . 0.506 ' HZ3' ' CD1' ' A' ' 640' ' ' TYR . 68.8 p-90 -84.39 -33.84 23.69 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.258 0.623 . . . . 25.0 112.271 -177.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -68.32 -35.46 77.83 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.54 0.336 . . . . 25.0 111.62 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -86.1 -12.37 50.22 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.236 0.335 . . . . 25.0 111.462 177.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -97.49 -26.6 14.77 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.763 -0.653 . . . . 25.0 111.36 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.67 ' HA ' HD12 ' A' ' 599' ' ' LEU . 74.3 t -87.6 127.3 40.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 109.722 -0.473 . . . . 25.0 109.722 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 42.9 p -108.1 -179.99 4.05 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.516 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -76.76 -18.59 58.37 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.881 -0.599 . . . . 25.0 110.215 170.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . 0.492 ' O ' ' CD2' ' A' ' 602' ' ' HIS . 72.2 m-20 -85.13 -31.42 23.31 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.84 -0.618 . . . . 25.0 111.227 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 595' ' ' VAL . 31.8 mt -65.4 -47.22 77.07 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 111.677 0.251 . . . . 25.0 111.677 175.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -57.6 -32.48 67.24 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.803 0.441 . . . . 25.0 111.733 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.4 p -73.43 -27.8 61.63 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.6 -0.727 . . . . 25.0 111.386 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 598' ' ' ASP . 90.6 m-70 -86.36 -21.23 27.33 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.864 177.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.2 -36.84 54.57 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.119 0.568 . . . . 25.0 109.994 175.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 48.3 t -71.27 -37.24 65.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.281 1.032 . . . . 25.0 110.465 172.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -73.71 -17.75 61.08 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 123.302 0.376 . . . . 25.0 110.592 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -85.5 -22.32 28.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.504 -0.771 . . . . 25.0 109.244 175.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.459 HD23 HG13 ' A' ' 657' ' ' ILE . 9.4 mt -86.13 -39.26 16.9 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.235 -1.348 . . . . 25.0 111.378 -178.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.4 t -73.83 -26.4 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 122.975 0.51 . . . . 25.0 111.381 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -81.76 -26.75 34.22 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.533 0.206 . . . . 25.0 111.396 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -80.47 -32.47 37.12 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.863 -0.608 . . . . 25.0 111.679 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.45 HG12 HG21 ' A' ' 660' ' ' ILE . 98.8 mt -77.68 -53.36 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 109.848 -0.427 . . . . 25.0 109.848 178.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.409 ' CG ' HD13 ' B' ' 545' ' ' LEU . 58.6 t80 -138.19 106.08 7.95 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 110.14 -0.318 . . . . 25.0 110.14 173.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -66.46 136.29 42.53 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 122.422 2.081 . . . . 25.0 112.195 173.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 44.7 p -105.54 114.45 63.11 Favored Pre-proline 0 C--O 1.236 0.385 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 -175.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -60.73 -51.03 5.43 Favored 'Trans proline' 0 C--N 1.369 1.656 0 C-N-CA 123.349 2.7 . . . . 25.0 112.521 166.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 36.4 t0 -104.12 122.98 42.32 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 114.763 -1.108 . . . . 25.0 111.273 178.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 55.4 Cg_endo -61.34 -10.11 14.9 Favored 'Trans proline' 0 C--N 1.377 2.065 0 C-N-CA 122.956 2.437 . . . . 25.0 114.108 174.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.51 -8.27 56.85 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.52 -8.18 59.69 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 88.7 mt -82.17 -9.24 59.58 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.142 -0.481 . . . . 25.0 112.087 -176.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -105.53 14.47 28.52 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 121.042 0.449 . . . . 25.0 110.226 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -85.9 163.84 17.82 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.894 -0.593 . . . . 25.0 111.046 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -78.76 -52.19 8.72 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.987 -0.551 . . . . 25.0 111.6 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -62.99 -27.96 69.77 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 54.8 tpp -76.0 -38.56 57.22 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.765 0.426 . . . . 25.0 110.731 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.03 -20.36 65.86 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.356 0.663 . . . . 25.0 112.211 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -70.65 -42.02 71.36 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 122.764 0.426 . . . . 25.0 111.988 -176.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 95.7 mt -86.32 -21.85 27.06 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.945 0.153 . . . . 25.0 110.875 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.427 HG12 ' HD2' ' A' ' 633' ' ' LYS . 3.2 t -55.01 -32.88 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 166.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -79.94 -18.83 49.45 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.649 -1.16 . . . . 25.0 111.63 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . 0.508 ' O ' ' HB3' ' A' ' 634' ' ' LYS . 38.4 t80 -75.09 -42.23 57.15 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.43 170.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.47 -24.58 29.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.364 -0.38 . . . . 25.0 111.942 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.427 ' HD2' HG12 ' A' ' 629' ' ' VAL . 62.1 mttt -71.39 -19.04 62.32 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.436 0.636 . . . . 25.0 110.164 172.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 631' ' ' TYR . 15.4 ttpt -79.05 -47.63 15.85 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 114.405 -1.27 . . . . 25.0 111.952 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 29.7 m -72.99 -37.49 53.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 114.312 1.227 . . . . 25.0 114.312 -159.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -53.36 -31.76 46.12 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -70.42 -19.73 76.37 Favored Glycine 0 C--N 1.347 1.155 0 O-C-N 123.379 0.424 . . . . 25.0 113.31 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -86.19 -19.39 30.12 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 122.807 0.443 . . . . 25.0 110.592 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.626 ' HG2' ' HB2' ' A' ' 652' ' ' LEU . 15.8 mtt -80.54 -22.09 41.15 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.16 -0.473 . . . . 25.0 111.992 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.506 ' CD1' ' HZ3' ' A' ' 591' ' ' TRP . 44.2 t80 -77.87 -29.3 50.26 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.091 -0.504 . . . . 25.0 111.536 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -89.05 -25.69 21.81 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.067 -0.515 . . . . 25.0 112.076 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.2 m -91.62 -46.0 8.17 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.449 0.537 . . . . 25.0 112.449 -174.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.48 152.1 27.5 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 -177.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -115.9 -12.84 11.35 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.637 -0.71 . . . . 25.0 112.123 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 55.4 p -132.18 -178.81 5.07 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 123.054 0.221 . . . . 25.0 111.288 -177.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -81.26 -36.4 29.97 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 122.492 0.317 . . . . 25.0 111.338 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -78.64 -21.59 48.16 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.358 0.411 . . . . 25.0 111.356 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -86.2 -40.01 16.04 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.293 0.37 . . . . 25.0 110.246 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -56.44 -52.61 64.02 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.27 0.628 . . . . 25.0 111.534 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.53 ' HA ' HD23 ' A' ' 653' ' ' LEU . 19.7 m-85 -67.22 -15.7 63.85 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 112.772 0.656 . . . . 25.0 112.772 177.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -79.63 -36.01 38.54 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.343 0.498 . . . . 25.0 112.343 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.626 ' HB2' ' HG2' ' A' ' 639' ' ' MET . 80.6 mt -66.58 -26.15 66.97 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 177.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.551 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -84.6 -30.82 24.66 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.636 0.374 . . . . 25.0 111.634 178.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.86 -32.98 57.89 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 122.64 0.376 . . . . 25.0 111.82 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -74.73 -25.93 59.45 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 111.832 0.308 . . . . 25.0 111.832 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 652' ' ' LEU . 62.4 mttp -73.02 -26.25 61.25 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-O 121.214 0.531 . . . . 25.0 109.928 171.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.459 HG13 HD23 ' A' ' 607' ' ' LEU . 5.0 mt -74.42 -28.81 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 114.746 -1.115 . . . . 25.0 110.744 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -85.24 -33.73 22.14 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.609 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -71.5 -31.48 67.14 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.45 HG21 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -76.79 -31.45 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 CA-C-N 116.172 -0.467 . . . . 25.0 109.893 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -66.83 -20.1 65.87 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.359 -0.837 . . . . 25.0 112.286 173.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 665' ' ' GLU . 59.7 tttm -77.77 -39.55 43.73 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.276 0.472 . . . . 25.0 112.276 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -71.69 -37.39 70.71 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.704 0.402 . . . . 25.0 112.041 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.66 -19.77 65.91 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.943 -0.571 . . . . 25.0 112.482 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' A' ' 662' ' ' LYS . 64.9 mt-10 . . . . . 0 N--CA 1.476 0.84 0 C-N-CA 122.749 0.42 . . . . 25.0 112.078 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 120.944 0.402 . . . . 25.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 94.4 mt -86.4 -26.37 6.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.262 -0.881 . . . . 25.0 111.195 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.79 -17.47 47.46 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.4 0.889 . . . . 25.0 113.4 -173.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -93.84 -17.68 22.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.379 174.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 87.6 mtp -85.23 -33.08 22.29 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.827 -1.079 . . . . 25.0 110.137 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -86.07 -20.16 29.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.349 -0.841 . . . . 25.0 111.885 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -74.59 -29.92 61.5 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.578 0.228 . . . . 25.0 110.959 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.8 p -82.11 -23.39 35.72 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.463 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 544' ' ' ALA . . . . . 0.506 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.21 -23.71 30.39 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.224 -0.444 . . . . 25.0 112.058 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 545' ' ' LEU . . . . . 0.409 HD13 ' CG ' ' A' ' 612' ' ' PHE . 50.3 mt -78.87 -18.49 53.84 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.879 0.471 . . . . 25.0 112.163 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 90.5 mt -85.75 -28.9 24.28 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.907 0.384 . . . . 25.0 110.608 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.9 p -75.8 -16.17 60.14 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.191 -0.913 . . . . 25.0 112.143 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 71.9 mm-40 -76.69 -25.79 54.02 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.479 0.548 . . . . 25.0 112.479 -178.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 78.8 mt -99.69 -27.66 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 115.354 -0.839 . . . . 25.0 112.385 -178.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 70.0 p -95.81 -33.34 12.29 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.241 0.338 . . . . 25.0 111.81 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 N--CA 1.483 1.195 0 C-N-CA 123.959 0.904 . . . . 25.0 111.88 -179.74 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 112.885 -0.086 . . . . 25.0 112.885 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -84.55 -27.86 27.04 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.167 0.587 . . . . 25.0 112.522 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -13.56 61.08 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.103 0.252 . . . . 25.0 111.198 175.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -81.82 -32.5 31.21 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.064 0.394 . . . . 25.0 112.064 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -99.16 -23.12 15.35 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.475 0.546 . . . . 25.0 112.475 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 76.9 t -80.3 125.04 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 109.557 -0.535 . . . . 25.0 109.557 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 73.3 p -112.51 -176.0 2.81 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.347 -0.842 . . . . 25.0 111.463 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -76.08 -17.87 59.44 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.869 -0.605 . . . . 25.0 110.065 168.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.68 -35.07 27.15 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 115.86 -0.609 . . . . 25.0 111.928 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.603 HD21 ' OH ' ' A' ' 650' ' ' TYR . 26.8 tp -64.76 -47.24 78.89 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 111.559 0.207 . . . . 25.0 111.559 174.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -59.48 -23.61 62.9 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.446 0.536 . . . . 25.0 112.446 -176.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 94.9 p -83.84 -27.83 28.45 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.135 -0.484 . . . . 25.0 111.024 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -85.31 -22.45 28.52 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 122.767 0.427 . . . . 25.0 110.663 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 24.7 mt -73.96 -34.8 64.39 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.646 -0.706 . . . . 25.0 109.669 173.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 19.9 t -76.39 -34.24 24.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-N 114.7 -1.137 . . . . 25.0 110.794 172.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -70.94 -17.11 62.69 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.925 0.393 . . . . 25.0 110.297 174.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -82.93 -24.1 33.2 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.192 -0.913 . . . . 25.0 109.151 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.463 HD11 HD22 ' A' ' 653' ' ' LEU . 19.8 mt -86.86 -47.59 8.9 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.142 -1.39 . . . . 25.0 111.46 -176.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 63.7 t -65.25 -24.06 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.759 0.824 . . . . 25.0 111.504 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -84.97 -29.67 24.87 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.476 0.179 . . . . 25.0 111.262 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.5 -23.61 50.26 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.559 174.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 90.0 mt -85.42 -55.59 6.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 116.077 -0.51 . . . . 25.0 109.659 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.506 ' CZ ' ' HB3' ' B' ' 545' ' ' LEU . 81.7 t80 -138.14 102.67 8.2 Favored Pre-proline 0 CA--C 1.55 0.967 0 CA-C-N 116.54 -0.3 . . . . 25.0 110.473 175.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -77.17 135.48 15.28 Favored 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.577 2.185 . . . . 25.0 112.354 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 2.5 t -152.02 127.0 4.71 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -50.92 -51.51 11.04 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 123.953 3.102 . . . . 25.0 114.355 172.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 50.1 t0 -74.66 116.52 54.25 Favored Pre-proline 0 N--CA 1.472 0.648 0 CA-C-N 115.657 -0.702 . . . . 25.0 112.359 -177.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 58.4 Cg_endo -65.67 -10.26 25.83 Favored 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 122.821 2.348 . . . . 25.0 113.766 172.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -73.73 -8.36 55.69 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.706 0.632 . . . . 25.0 112.706 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -82.02 -17.28 47.35 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 122.612 0.365 . . . . 25.0 111.908 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 88.8 mt -82.98 -3.4 57.14 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.19 -0.459 . . . . 25.0 112.078 -177.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -105.15 14.44 29.14 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.043 0.449 . . . . 25.0 110.399 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -84.94 153.49 22.79 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.773 -0.649 . . . . 25.0 110.754 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -78.65 -38.84 38.61 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.453 -0.794 . . . . 25.0 110.86 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -73.8 -21.05 60.29 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 114.939 -1.028 . . . . 25.0 112.267 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -89.54 -36.54 15.29 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.312 0.382 . . . . 25.0 111.257 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -55.52 -20.54 13.33 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.278 0.631 . . . . 25.0 112.644 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.92 -38.56 83.07 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 111.85 0.315 . . . . 25.0 111.85 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 1.6 mt -87.04 -27.83 22.96 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 123.174 0.296 . . . . 25.0 111.151 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 72.1 t -58.25 -39.18 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 170.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -75.24 -18.64 60.06 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.876 -1.056 . . . . 25.0 111.4 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -77.74 -38.03 47.89 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.249 -0.887 . . . . 25.0 110.368 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.25 -21.46 31.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.841 -0.618 . . . . 25.0 111.811 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -60.91 -29.87 69.85 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.919 0.488 . . . . 25.0 112.188 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -85.26 -40.13 16.95 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.791 -0.641 . . . . 25.0 111.613 -175.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.652 ' O ' ' HG2' ' A' ' 639' ' ' MET . 98.0 t -66.98 -26.08 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 116.186 -0.461 . . . . 25.0 112.052 -171.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -68.46 -35.52 77.68 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 122.8 0.44 . . . . 25.0 110.601 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -84.87 -21.96 54.28 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.874 -0.603 . . . . 25.0 113.269 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -77.28 -19.46 56.46 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 122.698 0.399 . . . . 25.0 110.701 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.652 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 39.4 mmt -78.19 -20.75 51.26 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.692 -0.686 . . . . 25.0 111.908 177.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.522 ' CD1' ' C ' ' A' ' 640' ' ' TYR . 0.0 OUTLIER -74.18 -31.87 62.84 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.897 -0.592 . . . . 25.0 111.309 -178.302 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.41 -21.94 24.01 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.262 -0.426 . . . . 25.0 111.77 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 92.7 p -92.79 -30.57 15.42 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.321 0.388 . . . . 25.0 112.022 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -99.24 143.01 29.99 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.207 0.317 . . . . 25.0 111.478 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -110.88 -10.17 14.42 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.889 -0.596 . . . . 25.0 111.867 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 67.6 m -132.26 158.78 40.92 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.361 -0.381 . . . . 25.0 110.628 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -72.01 -25.41 61.81 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.899 0.703 . . . . 25.0 112.899 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 99.1 m-20 -81.58 -24.33 36.56 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.241 0.338 . . . . 25.0 111.066 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -86.37 -39.21 16.65 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.312 0.383 . . . . 25.0 110.181 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -58.21 -50.73 72.53 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.405 0.682 . . . . 25.0 111.429 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.603 ' OH ' HD21 ' A' ' 599' ' ' LEU . 19.4 m-85 -76.4 -16.12 59.78 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.169 0.803 . . . . 25.0 113.169 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 86.1 t60 -83.23 -44.17 15.29 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 111.676 0.251 . . . . 25.0 111.676 -176.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.624 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 82.7 mt -54.64 -38.04 66.39 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.493 0.717 . . . . 25.0 112.615 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.463 HD22 HD11 ' A' ' 607' ' ' LEU . 95.0 mt -72.36 -34.74 68.2 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.711 -0.677 . . . . 25.0 111.677 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -72.52 -23.61 61.03 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.308 0.38 . . . . 25.0 110.875 174.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -72.56 -38.18 68.01 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.703 -0.681 . . . . 25.0 111.863 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -67.62 -28.62 67.89 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 173.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 26.3 mt -71.62 -28.4 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 115.286 -0.87 . . . . 25.0 110.79 -176.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -84.47 -37.42 21.37 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.136 -0.484 . . . . 25.0 110.693 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -75.56 -30.37 59.66 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 123.486 0.491 . . . . 25.0 112.156 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 75.3 mt -71.64 -28.98 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 174.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -78.21 -19.58 53.53 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.477 -0.783 . . . . 25.0 112.143 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -80.56 -43.11 21.19 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.556 0.342 . . . . 25.0 111.455 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.91 -43.03 80.17 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 -174.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.58 -22.25 61.5 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 112.104 0.409 . . . . 25.0 112.104 172.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 CA--C 1.542 0.646 0 C-N-CA 122.684 0.394 . . . . 25.0 111.055 178.222 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 112.22 0.452 . . . . 25.0 112.22 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.7 mt -87.24 -30.29 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 -176.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -80.12 -10.99 59.8 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.905 0.706 . . . . 25.0 112.905 -175.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -102.1 0.94 35.67 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.271 -0.877 . . . . 25.0 109.515 173.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 87.5 mtp -98.75 -31.15 12.04 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.169 -0.923 . . . . 25.0 110.79 173.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -89.74 -19.97 24.13 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.082 0.553 . . . . 25.0 112.437 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -72.19 -24.73 61.46 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.225 0.21 . . . . 25.0 111.346 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 83.7 p -81.89 -29.39 32.44 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.167 -0.47 . . . . 25.0 111.512 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -79.12 -28.94 42.96 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.205 -0.452 . . . . 25.0 111.406 178.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 545' ' ' LEU . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 612' ' ' PHE . 87.4 mt -84.85 -14.75 46.99 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.696 -0.684 . . . . 25.0 111.148 174.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 44.8 tp -81.72 -30.14 32.63 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.258 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.4 p -76.0 -16.18 60.01 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.047 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -74.26 -21.75 59.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.997 0.519 . . . . 25.0 112.255 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 89.4 mt -90.74 -28.34 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 115.192 -0.913 . . . . 25.0 110.696 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 81.0 p -92.27 -41.85 10.17 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.521 -0.309 . . . . 25.0 111.783 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 37.7 p . . . . . 0 C--O 1.249 1.073 0 CA-C-O 117.985 -1.007 . . . . 25.0 110.979 179.762 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.591 0 N-CA-C 114.137 0.415 . . . . 25.0 114.137 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -84.45 -35.58 22.92 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.949 0.374 . . . . 25.0 111.299 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' HIS . . . . . 0.466 ' CD2' ' C ' ' A' ' 592' ' ' HIS . 1.7 t-160 -63.84 -38.42 91.03 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.608 0.763 . . . . 25.0 112.161 -177.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -88.35 -8.7 54.66 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.779 0.323 . . . . 25.0 111.588 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -96.9 -25.99 15.23 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.783 -0.644 . . . . 25.0 111.419 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.532 HG13 HD23 ' A' ' 599' ' ' LEU . 32.3 t -82.34 136.28 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-O 120.884 0.374 . . . . 25.0 110.478 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.0 p -107.77 -179.93 4.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.434 -0.803 . . . . 25.0 111.573 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.09 -18.44 55.71 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.83 -0.623 . . . . 25.0 110.096 169.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -83.04 -25.41 32.15 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.765 -0.652 . . . . 25.0 111.252 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.532 HD23 HG13 ' A' ' 595' ' ' VAL . 38.0 tp -66.24 -50.96 61.99 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 122.907 0.129 . . . . 25.0 111.286 174.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -56.35 -31.25 63.59 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.065 0.546 . . . . 25.0 111.974 -175.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.6 p -77.97 -27.9 49.26 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.263 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -84.03 -20.91 31.93 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.05 -0.523 . . . . 25.0 110.681 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 50.5 mt -78.25 -36.13 47.28 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.429 0.691 . . . . 25.0 109.636 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 608' ' ' VAL . 48.1 t -72.21 -37.59 59.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-N 114.85 -1.068 . . . . 25.0 110.604 171.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.599 ' HA ' HG22 ' A' ' 608' ' ' VAL . 85.9 t60 -72.3 -16.78 61.9 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.243 0.339 . . . . 25.0 110.482 175.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.83 -22.45 29.46 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.276 174.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.561 HD23 ' HB1' ' A' ' 632' ' ' ALA . 3.8 tp -86.67 -45.04 11.36 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 114.198 -1.364 . . . . 25.0 111.518 -178.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.599 HG22 ' HA ' ' A' ' 605' ' ' HIS . 33.8 m -69.12 -26.54 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 123.583 0.753 . . . . 25.0 111.649 -177.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -81.68 -37.01 28.1 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.908 0.385 . . . . 25.0 110.686 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.35 72.47 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.249 -0.887 . . . . 25.0 111.719 175.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.617 HG21 HD21 ' A' ' 628' ' ' LEU . 91.7 mt -84.23 -49.45 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 176.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' A' ' 612' ' ' PHE . 26.2 p90 -141.32 106.85 6.09 Favored Pre-proline 0 CA--C 1.552 1.055 0 O-C-N 123.291 0.369 . . . . 25.0 110.599 174.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -75.98 139.41 21.81 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.444 2.096 . . . . 25.0 112.479 173.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 27.4 m -153.17 129.07 5.2 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 116.298 -0.41 . . . . 25.0 111.782 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -48.61 -58.04 1.99 Allowed 'Trans proline' 0 C--N 1.371 1.729 0 C-N-CA 123.827 3.018 . . . . 25.0 114.242 173.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 38.8 t0 -89.8 116.62 66.8 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.945 -0.57 . . . . 25.0 111.812 -178.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 55.5 Cg_endo -64.42 -10.41 23.96 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.791 2.327 . . . . 25.0 114.233 174.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.61 -10.87 59.81 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -177.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . 0.622 ' HB1' HD11 ' B' ' 545' ' ' LEU . . . -84.77 -14.77 47.17 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 111.908 0.336 . . . . 25.0 111.908 178.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 620' ' ' LEU . 3.1 mt -85.2 3.9 37.14 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.067 -0.515 . . . . 25.0 112.173 -176.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -96.63 15.21 22.37 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.01 0.433 . . . . 25.0 110.994 -176.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -76.88 165.96 23.99 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.738 -0.664 . . . . 25.0 111.598 -174.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -71.74 -55.04 8.39 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 122.754 0.422 . . . . 25.0 111.923 -175.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -71.02 -19.74 62.47 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.02 0.528 . . . . 25.0 112.102 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.5 ttm -79.1 -36.83 40.08 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.603 0.361 . . . . 25.0 111.261 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -54.52 -20.23 7.38 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -73.52 -31.84 63.91 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 122.438 0.295 . . . . 25.0 111.686 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.617 HD21 HG21 ' A' ' 611' ' ' ILE . 21.1 tp -86.2 -32.98 20.91 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 122.7 0.4 . . . . 25.0 110.485 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.62 -35.77 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.076 0.55 . . . . 25.0 110.144 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -80.6 -19.08 46.3 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.245 -0.889 . . . . 25.0 111.782 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -41.75 67.85 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.219 -0.446 . . . . 25.0 110.301 170.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.561 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -83.33 -24.71 32.0 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.753 -177.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -73.74 -22.39 59.89 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.105 -0.498 . . . . 25.0 110.727 175.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -85.56 -36.08 20.67 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.213 -0.903 . . . . 25.0 111.561 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 39.7 t -73.8 -42.83 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 112.275 0.472 . . . . 25.0 112.275 -174.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -55.96 -31.85 63.33 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.762 0.825 . . . . 25.0 112.295 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -76.44 -19.15 78.51 Favored Glycine 0 C--N 1.344 0.983 0 O-C-N 123.38 0.425 . . . . 25.0 113.278 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -84.68 -19.47 32.78 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 122.666 0.386 . . . . 25.0 111.078 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.782 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 20.9 mtm -74.88 -20.85 59.56 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 178.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -79.13 -32.08 44.34 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.154 -0.476 . . . . 25.0 111.202 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -89.1 -26.5 21.32 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.072 -0.513 . . . . 25.0 112.177 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 m -88.86 -46.38 8.98 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 -174.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -83.77 153.08 24.31 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -114.22 -14.16 12.31 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.71 -0.677 . . . . 25.0 111.935 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.2 p -132.07 161.22 33.77 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.289 0.368 . . . . 25.0 110.438 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -74.36 -23.86 59.07 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.994 -0.548 . . . . 25.0 112.05 -174.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -81.3 -25.7 36.29 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.179 0.3 . . . . 25.0 111.472 176.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -85.58 -41.58 15.13 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.147 -0.479 . . . . 25.0 110.126 176.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . 0.433 ' HD1' ' O ' ' A' ' 639' ' ' MET . 79.1 t80 -56.98 -49.73 74.84 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.544 0.738 . . . . 25.0 111.29 178.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -66.41 -15.64 63.47 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -82.64 -42.99 17.49 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 -175.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.53 -22.56 61.84 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.2 0.444 . . . . 25.0 112.2 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.782 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 1.0 OUTLIER -87.67 -36.28 17.52 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.897 0.479 . . . . 25.0 110.918 177.663 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.19 -21.9 60.58 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.943 -0.571 . . . . 25.0 111.5 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -75.17 -38.37 60.9 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.042 -0.526 . . . . 25.0 112.143 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -68.65 -28.05 66.54 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.542 -0.54 . . . . 25.0 109.542 172.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 17.7 mt -72.59 -41.38 63.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 115.535 -0.757 . . . . 25.0 110.711 -176.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -78.25 -26.3 47.17 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 120.957 0.408 . . . . 25.0 110.416 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -78.07 -35.28 49.71 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 115.145 -0.934 . . . . 25.0 112.215 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 96.7 mt -80.22 -31.68 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 110.248 -0.279 . . . . 25.0 110.248 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.16 -19.14 64.21 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.862 -0.608 . . . . 25.0 112.276 174.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.05 -41.55 95.07 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.076 0.55 . . . . 25.0 111.946 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -71.94 -39.85 69.15 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 123.389 0.431 . . . . 25.0 111.234 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.33 -21.45 65.66 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.929 -0.578 . . . . 25.0 112.296 173.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 122.781 0.432 . . . . 25.0 111.587 -176.647 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 89.7 p . . . . . 0 CA--C 1.536 0.41 0 N-CA-C 112.133 0.42 . . . . 25.0 112.133 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.0 mt -86.71 -45.0 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -172.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -76.73 -10.93 59.73 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -171.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -101.44 -17.55 16.41 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.583 -0.735 . . . . 25.0 109.749 174.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 39.3 mtp -83.45 -22.2 32.68 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.653 -0.703 . . . . 25.0 110.917 170.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -85.59 -31.78 22.44 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.522 -0.763 . . . . 25.0 112.274 -175.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 542' ' ' PHE . . . . . 0.415 ' O ' ' CD1' ' B' ' 542' ' ' PHE . 4.2 t80 -85.52 -19.04 31.77 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 112.586 0.587 . . . . 25.0 112.586 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.0 p -64.43 -22.39 66.94 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.186 0.594 . . . . 25.0 112.388 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -82.19 -23.06 35.67 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 545' ' ' LEU . . . . . 0.622 HD11 ' HB1' ' A' ' 619' ' ' ALA . 14.6 tp -81.94 -15.27 54.39 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.0 mt -83.25 -33.26 26.08 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.02 0.438 . . . . 25.0 110.767 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.5 p -75.83 -16.52 60.07 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.185 -0.916 . . . . 25.0 112.354 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -83.12 -12.47 57.01 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.158 0.429 . . . . 25.0 112.158 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.0 mt -104.89 -32.16 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.86 -0.609 . . . . 25.0 110.381 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 85.7 p -95.82 -39.86 9.63 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.307 -0.406 . . . . 25.0 111.765 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 117.993 -1.003 . . . . 25.0 111.794 -179.483 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.857 0 N-CA-C 114.041 0.376 . . . . 25.0 114.041 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 30.1 p-90 -69.31 -31.79 70.49 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 -177.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -13.14 60.58 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 116.395 -0.366 . . . . 25.0 111.549 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.36 -26.98 26.16 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.502 0.556 . . . . 25.0 112.502 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -106.68 -24.04 12.25 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.056 0.762 . . . . 25.0 113.056 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.482 HG13 HD23 ' A' ' 599' ' ' LEU . 53.5 t -77.07 127.36 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 120.978 0.418 . . . . 25.0 110.343 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 53.6 p -111.28 -175.14 2.63 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.171 -0.922 . . . . 25.0 111.437 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -72.38 -18.3 61.75 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.901 -0.591 . . . . 25.0 109.962 168.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -78.4 -36.03 46.31 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 115.754 -0.657 . . . . 25.0 112.021 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.482 HD23 HG13 ' A' ' 595' ' ' VAL . 50.5 tp -62.47 -48.75 78.25 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 111.457 0.169 . . . . 25.0 111.457 173.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.481 ' O ' HG23 ' A' ' 604' ' ' VAL . 55.1 mtp180 -56.49 -30.13 62.6 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.105 0.562 . . . . 25.0 112.047 -175.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.8 p -78.53 -30.4 46.99 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.552 -0.749 . . . . 25.0 111.576 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -81.01 -21.21 40.38 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.038 0.447 . . . . 25.0 110.315 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.75 -32.58 60.05 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.179 0.992 . . . . 25.0 110.015 173.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 600' ' ' ARG . 77.6 t -83.33 -30.9 8.28 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.022 -0.99 . . . . 25.0 110.832 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -75.85 -17.24 59.89 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.661 0.384 . . . . 25.0 110.474 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -85.14 -25.52 27.41 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 122.059 0.933 . . . . 25.0 108.893 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.529 HD23 ' HB1' ' A' ' 632' ' ' ALA . 49.0 tp -87.12 -40.16 14.9 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 113.194 -1.821 . . . . 25.0 111.512 -177.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 42.5 t -74.72 -22.63 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.173 0.589 . . . . 25.0 111.549 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -83.43 -25.72 31.0 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.551 0.215 . . . . 25.0 111.352 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -79.01 -27.84 43.29 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.385 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.551 HG12 HG21 ' A' ' 660' ' ' ILE . 89.2 mt -81.19 -51.89 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 176.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.425 ' CG ' HD13 ' B' ' 545' ' ' LEU . 68.6 t80 -145.04 113.69 4.91 Favored Pre-proline 0 CA--C 1.549 0.912 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.117 171.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -65.77 135.13 40.32 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.347 2.031 . . . . 25.0 112.139 173.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.65 114.78 56.55 Favored Pre-proline 0 C--O 1.236 0.371 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 -175.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -61.56 -51.97 3.61 Favored 'Trans proline' 0 C--N 1.369 1.657 0 C-N-CA 123.359 2.706 . . . . 25.0 112.591 166.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -107.66 124.33 35.28 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 114.895 -1.048 . . . . 25.0 111.429 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -61.93 -9.99 16.1 Favored 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 123.109 2.539 . . . . 25.0 114.096 174.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.72 -7.99 57.3 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.808 0.67 . . . . 25.0 112.808 -177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.2 -8.28 59.5 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 80.3 mt -84.14 -4.88 59.1 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -107.42 14.72 25.64 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.84 0.353 . . . . 25.0 111.366 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -83.61 166.05 18.51 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.135 -0.484 . . . . 25.0 111.37 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -71.72 -54.71 9.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.948 0.499 . . . . 25.0 111.449 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -68.79 -29.74 68.17 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.773 0.656 . . . . 25.0 112.773 -177.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.2 tpt -77.76 -38.65 46.44 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.367 0.267 . . . . 25.0 111.677 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -56.71 -19.89 19.04 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.09 0.556 . . . . 25.0 112.205 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.55 -38.03 80.46 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.414 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 94.4 mt -86.47 -30.47 22.0 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 120.445 0.164 . . . . 25.0 110.907 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' A' ' 633' ' ' LYS . 74.5 t -56.34 -34.18 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 170.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -77.44 -18.64 57.02 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 114.869 -1.06 . . . . 25.0 111.42 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 3.9 t80 -74.54 -41.84 59.89 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.688 0.395 . . . . 25.0 110.27 169.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.529 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -81.8 -25.53 35.16 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.938 -0.573 . . . . 25.0 112.397 -173.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 629' ' ' VAL . 24.2 mttt -69.58 -27.09 64.82 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.695 0.628 . . . . 25.0 112.695 -176.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm -82.23 -35.44 28.19 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.816 0.446 . . . . 25.0 111.401 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.446 HG11 ' HD2' ' A' ' 656' ' ' LYS . 78.6 t -70.03 -46.26 73.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 115.567 -0.742 . . . . 25.0 112.59 -168.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -55.66 -30.86 61.75 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.43 0.692 . . . . 25.0 112.135 -175.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -80.13 -19.48 69.56 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 116.287 -0.415 . . . . 25.0 113.141 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -84.98 -19.74 31.62 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 122.745 0.418 . . . . 25.0 110.968 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.706 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 45.1 mtm -73.56 -20.85 60.52 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.154 0.427 . . . . 25.0 112.154 177.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.566 ' CD1' ' C ' ' A' ' 640' ' ' TYR . 0.0 OUTLIER -78.6 -31.87 47.3 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.746 0.418 . . . . 25.0 111.857 -176.31 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.478 ' HG2' ' CE2' ' A' ' 640' ' ' TYR . 3.3 mm-40 -88.25 -22.71 23.8 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.322 0.389 . . . . 25.0 111.957 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 29.9 m -90.57 -44.82 9.31 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.049 0.388 . . . . 25.0 112.049 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.56 159.89 16.23 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.318 0.386 . . . . 25.0 111.978 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -120.08 -19.77 7.67 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.926 -0.579 . . . . 25.0 111.475 -178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 80.1 p -132.0 159.07 39.83 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.323 0.249 . . . . 25.0 110.641 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 8.1 ptt-85 -68.76 -19.59 64.33 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.019 0.748 . . . . 25.0 113.019 -175.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . 0.441 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 79.0 m-20 -81.21 -30.39 34.29 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 123.211 0.319 . . . . 25.0 110.73 177.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -86.39 -45.53 11.1 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 123.413 0.446 . . . . 25.0 110.37 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . 0.409 ' HD2' ' CD1' ' A' ' 650' ' ' TYR . 83.6 t80 -55.85 -52.03 65.47 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.678 0.791 . . . . 25.0 111.488 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.409 ' CD1' ' HD2' ' A' ' 649' ' ' TYR . 16.9 m-30 -64.28 -15.61 60.51 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 173.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 1.2 t60 -83.42 -42.78 16.59 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.23 0.456 . . . . 25.0 112.23 -175.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.26 -23.79 62.67 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 112.31 0.485 . . . . 25.0 112.31 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.706 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -87.26 -34.94 18.76 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 122.774 0.43 . . . . 25.0 110.549 177.305 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -72.28 -22.35 61.23 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.848 -0.615 . . . . 25.0 111.325 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -76.39 -36.74 57.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.871 -0.604 . . . . 25.0 112.205 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.446 ' HD2' HG11 ' A' ' 635' ' ' VAL . 57.3 mttp -71.3 -26.25 62.78 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 172.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 6.4 mt -71.89 -30.0 35.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 115.27 -0.877 . . . . 25.0 110.425 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -84.4 -33.44 23.76 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.211 -0.45 . . . . 25.0 111.093 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -77.53 -30.36 52.81 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 112.253 0.464 . . . . 25.0 112.253 -177.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.551 HG21 HG12 ' A' ' 611' ' ' ILE . 90.9 mt -76.94 -29.64 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 176.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -70.8 -19.65 62.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.489 -0.778 . . . . 25.0 111.85 172.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -79.29 -40.72 29.75 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.776 0.43 . . . . 25.0 112.107 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -69.12 -41.69 77.05 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.605 0.594 . . . . 25.0 112.605 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 68.2 mt -60.0 -21.15 60.92 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 112.486 0.55 . . . . 25.0 112.486 173.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 . . . . . 0 N--CA 1.472 0.642 0 C-N-CA 122.518 0.327 . . . . 25.0 111.479 177.043 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 87.4 p . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 120.668 0.271 . . . . 25.0 110.718 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.54 -32.06 6.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 115.677 -0.692 . . . . 25.0 110.938 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.77 -11.19 59.11 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -99.03 -11.76 21.2 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.564 -0.744 . . . . 25.0 109.92 174.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 97.7 mtp -94.4 -27.57 15.98 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.569 -0.741 . . . . 25.0 110.995 172.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 541' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 84.1 m-20 -89.45 -19.61 24.92 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.536 -0.757 . . . . 25.0 111.608 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -72.33 -28.13 62.87 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 122.975 0.172 . . . . 25.0 111.243 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 99.4 p -81.93 -23.94 35.89 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.4 0.438 . . . . 25.0 111.659 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 544' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.35 -22.61 30.49 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.164 0.431 . . . . 25.0 112.164 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 545' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 85.7 mt -83.18 -18.2 40.19 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.321 0.489 . . . . 25.0 112.321 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.2 mt -84.55 -28.86 26.35 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.944 0.402 . . . . 25.0 110.805 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.6 p -75.89 -15.57 60.18 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.257 -0.883 . . . . 25.0 112.348 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 93.8 mm-40 -69.02 -14.09 62.83 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 112.902 0.705 . . . . 25.0 112.902 -176.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 78.9 mt -104.73 -25.23 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 85.7 p -95.06 -41.45 9.12 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.177 0.298 . . . . 25.0 111.683 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--O 1.253 1.265 0 CA-C-O 118.699 -0.667 . . . . 25.0 111.01 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.511 0 N-CA-C 114.703 0.641 . . . . 25.0 114.703 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -68.15 -33.13 73.9 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.14 0.576 . . . . 25.0 112.535 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.19 -12.91 60.4 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.325 0.25 . . . . 25.0 111.155 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -81.97 -21.52 37.12 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.132 -0.485 . . . . 25.0 111.899 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -115.13 -24.13 8.68 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.752 0.649 . . . . 25.0 112.752 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 77.7 t -80.44 125.24 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-O 121.042 0.449 . . . . 25.0 110.038 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 73.2 p -112.45 -175.61 2.72 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.074 -0.966 . . . . 25.0 111.164 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -75.29 -18.25 60.1 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.069 -0.514 . . . . 25.0 110.308 168.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -84.6 -36.03 22.31 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 115.881 -0.599 . . . . 25.0 112.246 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.63 -46.9 87.81 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 117.761 0.255 . . . . 25.0 111.472 176.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -55.43 -29.5 58.73 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.11 0.564 . . . . 25.0 111.999 -176.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 83.5 p -78.19 -32.17 49.89 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.507 -0.769 . . . . 25.0 111.798 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -82.97 -21.62 33.93 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.633 0.373 . . . . 25.0 110.711 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.522 ' CD1' ' OH ' ' A' ' 649' ' ' TYR . 37.5 mt -71.52 -31.59 67.22 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.772 0.829 . . . . 25.0 110.239 173.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 28.0 t -83.4 -33.55 10.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 115.098 -0.955 . . . . 25.0 110.869 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.539 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 80.1 t60 -74.94 -16.81 60.63 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 122.61 0.364 . . . . 25.0 110.789 176.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -85.76 -27.81 24.98 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 122.134 0.969 . . . . 25.0 108.671 176.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 14.3 tp -87.08 -37.97 16.93 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 113.017 -1.901 . . . . 25.0 111.619 -175.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 77.6 t -75.93 -24.76 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.163 0.585 . . . . 25.0 111.279 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 99.6 mm-40 -83.65 -25.81 30.44 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.491 0.186 . . . . 25.0 111.313 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -76.41 -31.86 58.18 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 116.036 -0.529 . . . . 25.0 111.275 174.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.613 HG12 HG21 ' A' ' 660' ' ' ILE . 88.5 mt -78.81 -56.46 7.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 N-CA-C 109.527 -0.545 . . . . 25.0 109.527 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -142.85 110.94 5.66 Favored Pre-proline 0 CA--C 1.547 0.841 0 O-C-N 123.328 0.392 . . . . 25.0 110.301 172.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -68.45 134.81 31.92 Favored 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 122.28 1.987 . . . . 25.0 112.215 173.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.409 ' CG2' ' HB3' ' A' ' 619' ' ' ALA . 0.1 OUTLIER -105.02 113.28 64.91 Favored Pre-proline 0 C--O 1.236 0.352 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 -177.439 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -59.96 -51.6 5.54 Favored 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 123.416 2.744 . . . . 25.0 112.634 167.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -107.06 123.19 39.16 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 114.813 -1.085 . . . . 25.0 111.098 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -60.83 -10.47 14.59 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 123.004 2.469 . . . . 25.0 114.25 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.24 -8.28 56.72 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . 0.409 ' HB3' ' CG2' ' A' ' 614' ' ' THR . . . -81.48 -17.72 47.67 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.724 0.41 . . . . 25.0 112.017 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 90.7 mt -81.19 2.4 27.87 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.222 -0.444 . . . . 25.0 112.159 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -101.49 14.58 31.53 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.111 0.481 . . . . 25.0 110.784 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.29 153.41 20.91 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.594 -0.73 . . . . 25.0 110.776 -177.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 14.4 mmp_? -79.66 -37.48 35.82 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.3 -0.864 . . . . 25.0 110.76 -176.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.411 ' CZ ' ' HB1' ' B' ' 544' ' ' ALA . 62.6 mtm180 -72.59 -28.03 62.54 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 114.816 -1.084 . . . . 25.0 112.049 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -80.9 -37.08 30.29 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 122.572 0.349 . . . . 25.0 111.063 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.33 -20.31 18.42 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.426 0.691 . . . . 25.0 112.446 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -70.84 -35.81 72.6 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 96.0 mt -86.44 -29.75 22.59 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 110.482 -0.192 . . . . 25.0 110.482 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.47 -32.33 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 122.869 0.468 . . . . 25.0 109.834 170.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -80.59 -19.25 45.95 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 114.95 -1.023 . . . . 25.0 111.525 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . 0.412 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 75.0 t80 -74.13 -41.74 61.11 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.858 0.463 . . . . 25.0 110.112 169.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -79.33 -37.86 36.58 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.053 -0.521 . . . . 25.0 111.941 -174.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -66.31 -21.49 66.26 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.145 0.578 . . . . 25.0 111.037 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -86.24 -37.23 18.82 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.206 -0.906 . . . . 25.0 112.217 -177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.501 HG11 ' HD2' ' A' ' 656' ' ' LYS . 25.5 t -67.53 -48.07 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 N-CA-C 113.487 0.921 . . . . 25.0 113.487 -168.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -63.78 -21.58 66.49 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 112.937 0.717 . . . . 25.0 112.937 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -72.37 -26.33 72.23 Favored Glycine 0 C--N 1.344 0.985 0 O-C-N 123.207 0.317 . . . . 25.0 112.687 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -87.53 -19.04 28.45 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 122.936 0.494 . . . . 25.0 110.739 176.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.607 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 31.9 mmt -70.35 -26.01 63.55 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -78.08 -25.1 47.46 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.48 -0.327 . . . . 25.0 111.271 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -88.94 -23.34 22.71 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.243 -0.435 . . . . 25.0 111.834 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 55.1 p -96.12 -39.1 9.88 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 -176.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -89.66 153.79 20.46 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.714 0.264 . . . . 25.0 111.714 -177.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -121.73 -14.11 8.19 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.91 -0.586 . . . . 25.0 111.147 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 51.5 p -131.97 165.48 23.85 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.628 -0.26 . . . . 25.0 110.848 -176.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -68.97 -31.82 70.95 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.075 0.55 . . . . 25.0 111.705 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 98.9 m-20 -80.73 -23.69 39.29 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.053 0.39 . . . . 25.0 112.053 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -86.44 -38.29 17.48 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.945 -0.391 . . . . 25.0 109.945 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . 0.522 ' OH ' ' CD1' ' A' ' 603' ' ' LEU . 0.8 OUTLIER -58.97 -54.73 43.8 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.067 0.547 . . . . 25.0 111.316 177.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -72.1 -21.48 61.48 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.809 1.04 . . . . 25.0 113.809 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 1.3 m-70 -81.3 -34.23 32.08 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 111.71 0.263 . . . . 25.0 111.71 -177.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.607 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 72.3 mt -61.99 -38.2 87.72 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.392 0.677 . . . . 25.0 112.295 175.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.62 -30.29 61.6 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.935 -0.575 . . . . 25.0 112.312 173.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.433 ' O ' ' CD1' ' A' ' 658' ' ' TYR . . . -78.38 -27.0 46.78 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -76.18 -30.88 58.24 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.233 0.456 . . . . 25.0 112.233 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.501 ' HD2' HG11 ' A' ' 635' ' ' VAL . 23.5 mttm -69.93 -28.67 65.77 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 171.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 3.5 mt -67.68 -32.0 54.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 114.964 -1.016 . . . . 25.0 110.698 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 654' ' ' ALA . 60.7 m-85 -85.56 -34.43 21.48 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.284 -0.416 . . . . 25.0 111.461 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -71.78 -33.7 68.82 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.613 HG21 HG12 ' A' ' 611' ' ' ILE . 96.8 mt -74.12 -28.69 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 116.105 -0.498 . . . . 25.0 109.849 177.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -70.37 -19.8 63.0 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.38 -0.827 . . . . 25.0 111.917 171.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . 0.515 ' O ' ' HB2' ' A' ' 665' ' ' GLU . 30.2 ttpt -81.09 -38.08 27.89 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.973 0.509 . . . . 25.0 112.243 178.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -70.31 -41.1 73.74 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 122.982 0.513 . . . . 25.0 112.261 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.19 -21.62 66.33 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 116.066 -0.515 . . . . 25.0 112.28 172.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' A' ' 662' ' ' LYS . 12.5 mm-40 . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 122.875 0.47 . . . . 25.0 111.091 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 65.1 p . . . . . 0 N--CA 1.467 0.38 0 CA-C-O 120.84 0.352 . . . . 25.0 110.735 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.5 mt -86.63 -32.4 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-N 115.305 -0.861 . . . . 25.0 110.926 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -82.26 -11.82 58.42 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -177.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -102.09 -7.69 22.07 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.406 -0.815 . . . . 25.0 109.528 174.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 49.6 ttm -95.21 -32.07 13.21 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.029 -0.987 . . . . 25.0 109.858 174.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 541' ' ' ASP . . . . . 0.49 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 98.5 m-20 -88.34 -19.75 26.26 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.268 -0.878 . . . . 25.0 111.927 -177.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -71.67 -26.25 62.45 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.418 0.152 . . . . 25.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 95.0 p -81.9 -26.45 34.1 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.132 -0.485 . . . . 25.0 111.577 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 544' ' ' ALA . . . . . 0.411 ' HB1' ' CZ ' ' A' ' 624' ' ' ARG . . . -84.23 -22.84 30.69 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.282 -0.417 . . . . 25.0 111.814 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 545' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 71.0 mt -80.16 -15.86 56.15 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.119 -0.491 . . . . 25.0 112.311 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 95.6 mt -81.29 -26.22 35.88 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 121.05 0.452 . . . . 25.0 110.626 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 60.6 p -75.83 -15.73 60.19 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.104 -0.953 . . . . 25.0 112.116 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -70.37 -12.9 61.89 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.085 0.772 . . . . 25.0 113.085 -176.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 40.9 pt -104.81 -17.81 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 112.365 0.505 . . . . 25.0 112.365 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 78.5 p -98.87 -40.53 8.05 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.538 -0.301 . . . . 25.0 111.303 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 C--O 1.252 1.188 0 CA-C-O 118.836 -0.602 . . . . 25.0 110.894 -179.893 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.871 0 N-CA-C 114.142 0.417 . . . . 25.0 114.142 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -68.0 -32.61 73.11 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.59 0.589 . . . . 25.0 112.59 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -73.35 -18.94 61.12 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.598 -0.274 . . . . 25.0 111.587 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -75.28 -29.1 60.01 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.675 0.62 . . . . 25.0 112.675 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -107.87 -24.74 11.53 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.413 ' HA ' HD12 ' A' ' 599' ' ' LEU . 53.5 t -78.98 126.85 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 109.738 -0.467 . . . . 25.0 109.738 178.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 73.3 p -111.16 -175.42 2.7 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.387 -0.824 . . . . 25.0 111.757 -174.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -73.12 -17.34 61.41 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.461 -0.79 . . . . 25.0 110.036 169.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -84.48 -31.15 24.69 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.862 -0.608 . . . . 25.0 111.523 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 595' ' ' VAL . 7.8 mt -66.52 -49.25 67.15 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 117.752 0.251 . . . . 25.0 111.302 173.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 81.3 mtp85 -54.43 -25.56 25.58 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -176.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 86.1 p -84.89 -35.07 22.42 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.996 -0.547 . . . . 25.0 111.621 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -77.33 -25.57 51.27 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.84 0.456 . . . . 25.0 111.335 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 47.8 mt -69.72 -31.62 69.72 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.787 0.835 . . . . 25.0 110.892 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 96.7 t -83.12 -27.23 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.38 1.072 . . . . 25.0 110.276 175.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -78.56 -16.91 56.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.069 -0.514 . . . . 25.0 109.859 171.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -81.37 -26.63 35.36 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.272 -0.876 . . . . 25.0 108.813 174.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.991 HD13 ' HB1' ' A' ' 632' ' ' ALA . 0.5 OUTLIER -78.06 -57.88 3.56 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 113.896 -1.502 . . . . 25.0 110.746 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 71.2 t -61.15 -24.85 34.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 C-N-CA 123.683 0.793 . . . . 25.0 111.631 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -83.76 -36.17 23.81 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.686 0.395 . . . . 25.0 110.45 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -74.75 -23.31 58.53 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.082 -0.508 . . . . 25.0 111.775 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.526 HG12 HD13 ' A' ' 660' ' ' ILE . 80.4 mt -87.44 -54.25 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 116.066 -0.515 . . . . 25.0 109.964 178.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.516 ' CD2' HD13 ' B' ' 545' ' ' LEU . 87.9 t80 -139.69 116.11 8.26 Favored Pre-proline 0 CA--C 1.548 0.896 0 O-C-N 123.217 0.323 . . . . 25.0 110.469 176.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . 0.444 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 51.8 Cg_exo -62.3 138.1 69.65 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.405 2.07 . . . . 25.0 112.335 173.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 37.0 m -92.35 114.4 62.17 Favored Pre-proline 0 CA--C 1.534 0.357 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -174.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 87.7 Cg_exo -63.97 -56.36 0.49 Allowed 'Trans proline' 0 C--N 1.368 1.563 0 C-N-CA 123.444 2.763 . . . . 25.0 112.757 167.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 617' ' ' PRO . 2.5 t70 -127.11 140.36 37.63 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 115.295 -0.866 . . . . 25.0 111.515 -178.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 616' ' ' ASP . 42.2 Cg_exo -59.84 -13.3 21.82 Favored 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 123.966 3.111 . . . . 25.0 114.292 174.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -85.79 -19.91 30.01 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.346 0.499 . . . . 25.0 112.346 -178.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -67.03 -9.44 39.12 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.794 0.664 . . . . 25.0 112.794 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 97.0 mt -86.48 0.51 54.08 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -175.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -103.12 14.76 31.05 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.154 0.502 . . . . 25.0 110.494 -177.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -84.08 149.87 25.94 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.606 -0.724 . . . . 25.0 111.028 -177.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -75.13 -46.19 35.99 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.069 -0.969 . . . . 25.0 111.675 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -65.21 -19.57 66.03 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.685 0.624 . . . . 25.0 112.685 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 10.0 ttt -86.82 -41.43 14.07 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.732 0.271 . . . . 25.0 111.732 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -57.48 -20.01 28.17 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.409 0.892 . . . . 25.0 113.409 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -69.47 -33.91 73.58 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 178.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.548 ' O ' ' HB2' ' A' ' 631' ' ' TYR . 31.9 mt -86.77 -30.08 21.85 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 110.52 -0.178 . . . . 25.0 110.52 176.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 65.0 t -53.92 -40.59 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 N-CA-C 109.55 -0.537 . . . . 25.0 109.55 171.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -70.99 -19.76 62.5 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.896 -1.047 . . . . 25.0 111.692 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . 0.548 ' HB2' ' O ' ' A' ' 628' ' ' LEU . 16.9 m-30 -75.97 -31.58 59.08 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.888 -0.597 . . . . 25.0 110.527 171.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.991 ' HB1' HD13 ' A' ' 607' ' ' LEU . . . -84.05 -32.28 24.93 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.282 -0.417 . . . . 25.0 111.706 177.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.67 -25.17 67.83 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 120.944 0.402 . . . . 25.0 111.18 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -85.35 -36.61 20.65 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.378 -0.828 . . . . 25.0 111.718 -176.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' A' ' 639' ' ' MET . 34.0 m -76.7 -25.96 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 112.075 0.398 . . . . 25.0 112.075 -175.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -81.78 -35.17 29.88 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.711 0.404 . . . . 25.0 111.372 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -84.33 -19.82 59.86 Favored Glycine 0 C--N 1.343 0.937 0 O-C-N 123.249 0.343 . . . . 25.0 113.584 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -87.52 -19.07 28.42 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.564 0.345 . . . . 25.0 111.302 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.634 ' SD ' ' HG ' ' A' ' 653' ' ' LEU . 65.1 mtt -78.61 -20.9 49.36 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -177.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 640' ' ' TYR . 0.0 OUTLIER -73.44 -25.43 60.51 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.767 0.427 . . . . 25.0 111.068 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.53 -24.0 23.03 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.075 -0.511 . . . . 25.0 111.831 178.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 87.1 p -95.78 -33.42 12.28 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.442 -0.345 . . . . 25.0 111.928 -176.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -91.13 146.0 24.21 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.192 0.307 . . . . 25.0 111.499 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -107.09 -18.26 13.95 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.038 -0.528 . . . . 25.0 111.162 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 80.1 p -131.98 161.48 33.03 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.407 -0.36 . . . . 25.0 110.717 -176.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 52.1 ptt85 -73.03 -22.17 60.68 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.862 -0.608 . . . . 25.0 111.727 -177.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -81.06 -27.75 35.59 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.276 0.36 . . . . 25.0 111.246 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -85.67 -41.69 14.95 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.623 0.369 . . . . 25.0 110.078 176.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -56.12 -48.79 75.52 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.374 0.669 . . . . 25.0 111.349 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -74.61 -16.81 60.78 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 177.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -84.71 -37.52 20.83 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.171 0.188 . . . . 25.0 111.293 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.28 -41.29 93.01 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.609 0.764 . . . . 25.0 112.384 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.634 ' HG ' ' SD ' ' A' ' 639' ' ' MET . 0.3 OUTLIER -71.92 -33.19 68.09 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.135 -0.484 . . . . 25.0 112.293 175.042 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.39 -29.72 57.23 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -77.32 -25.23 51.0 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -72.07 -31.18 65.87 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 109.144 -0.687 . . . . 25.0 109.144 169.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 7.8 mt -67.04 -36.26 76.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 114.647 -1.161 . . . . 25.0 111.21 -177.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 661' ' ' GLN . 21.1 m-30 -81.12 -28.67 35.06 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.538 0.524 . . . . 25.0 111.267 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -76.55 -22.0 54.92 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 116.317 -0.401 . . . . 25.0 111.161 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.526 HD13 HG12 ' A' ' 611' ' ' ILE . 63.8 mt -81.56 -22.52 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 173.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 658' ' ' TYR . 71.7 mt-30 -72.92 -38.0 67.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.089 -0.96 . . . . 25.0 112.274 176.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -64.15 -40.1 95.42 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.396 -0.82 . . . . 25.0 112.749 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -70.22 -40.79 74.31 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -175.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 99.7 mt -64.3 -18.58 64.74 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 173.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 113.238 0.829 . . . . 25.0 113.238 -176.705 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.6 p . . . . . 0 N--CA 1.466 0.355 0 CA-C-O 120.765 0.317 . . . . 25.0 111.33 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 537' ' ' ILE . . . . . 0.439 HG22 HD21 ' A' ' 628' ' ' LEU . 80.2 mt -86.57 -29.94 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.465 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.77 -11.3 59.06 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.018 0.747 . . . . 25.0 113.018 -176.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -100.58 -11.03 20.41 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.674 -0.694 . . . . 25.0 109.855 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 81.0 mmm -93.72 -28.66 15.81 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.307 -0.86 . . . . 25.0 110.745 173.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -91.64 -19.53 22.59 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.595 -0.729 . . . . 25.0 111.731 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -74.93 -27.25 60.13 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.474 0.178 . . . . 25.0 111.136 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 84.6 p -81.7 -24.21 36.33 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.833 0.453 . . . . 25.0 111.386 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -79.94 -28.37 39.69 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.325 0.391 . . . . 25.0 111.398 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 545' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' A' ' 612' ' ' PHE . 96.0 mt -84.23 -20.64 31.94 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.811 -0.631 . . . . 25.0 111.153 174.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 546' ' ' LEU . 9.3 mt -76.78 -28.66 55.75 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.643 -0.708 . . . . 25.0 110.712 177.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.5 p -76.59 -15.75 59.76 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.573 -0.739 . . . . 25.0 111.991 175.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -71.95 -14.34 61.89 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.083 0.771 . . . . 25.0 113.083 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 42.9 pt -104.93 -27.92 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 112.21 0.448 . . . . 25.0 112.21 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 91.4 p -96.17 -35.54 11.27 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.556 -0.293 . . . . 25.0 111.726 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 59.7 p . . . . . 0 C--O 1.249 1.068 0 CA-C-O 117.995 -1.002 . . . . 25.0 110.903 179.832 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.818 0 N-CA-C 114.687 0.635 . . . . 25.0 114.687 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 46.2 p-90 -63.41 -35.19 79.58 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.168 0.803 . . . . 25.0 113.168 -177.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -13.13 61.55 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.075 0.234 . . . . 25.0 111.555 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -83.33 -24.69 32.0 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.128 0.418 . . . . 25.0 112.128 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -112.29 -24.36 9.85 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.925 0.713 . . . . 25.0 112.925 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 89.9 t -79.07 124.02 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 70.3 p -113.61 -174.06 2.39 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.222 -0.899 . . . . 25.0 111.74 -177.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -74.95 -17.81 60.49 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.417 -0.81 . . . . 25.0 110.05 169.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -84.0 -36.59 23.04 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.547 -0.751 . . . . 25.0 111.466 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.99 -41.43 97.51 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.951 0.352 . . . . 25.0 111.951 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -64.25 -23.85 67.46 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 112.174 0.435 . . . . 25.0 112.174 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 86.2 p -84.46 -35.03 23.3 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.228 -0.442 . . . . 25.0 111.746 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -75.49 -34.2 60.84 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.787 0.435 . . . . 25.0 110.969 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.38 -25.54 66.01 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.314 0.646 . . . . 25.0 112.653 171.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 11.6 t -83.09 -27.84 7.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 115.756 -0.656 . . . . 25.0 110.171 172.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -78.13 -16.64 57.76 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.027 171.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -82.78 -29.67 29.46 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.038 -0.983 . . . . 25.0 108.762 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.46 HD23 ' HB1' ' A' ' 632' ' ' ALA . 23.1 tp -88.1 -38.74 15.15 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 113.114 -1.857 . . . . 25.0 111.905 -175.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 34.5 t -74.88 -22.08 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.26 0.624 . . . . 25.0 111.319 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -82.32 -25.89 33.51 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.663 0.268 . . . . 25.0 111.213 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -79.59 -22.42 43.76 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.743 -0.662 . . . . 25.0 111.47 174.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.417 ' CG1' HD13 ' A' ' 660' ' ' ILE . 87.3 mt -88.02 -59.44 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 109.745 -0.465 . . . . 25.0 109.745 177.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.448 ' CG ' HD13 ' B' ' 545' ' ' LEU . 80.1 t80 -139.64 102.39 7.15 Favored Pre-proline 0 CA--C 1.547 0.843 0 O-C-N 123.271 0.357 . . . . 25.0 110.442 176.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -82.55 140.83 10.81 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 122.183 1.922 . . . . 25.0 112.712 173.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.0 t -155.04 128.6 4.45 Favored Pre-proline 0 CA--C 1.544 0.745 0 CA-C-N 116.203 -0.453 . . . . 25.0 112.196 -177.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -50.48 -54.9 4.68 Favored 'Trans proline' 0 C--N 1.372 1.781 0 C-N-CA 124.074 3.182 . . . . 25.0 114.312 172.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.404 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 50.9 t0 -72.14 117.08 55.21 Favored Pre-proline 0 N--CA 1.473 0.688 0 CA-C-N 115.588 -0.733 . . . . 25.0 112.477 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 58.4 Cg_endo -65.4 -10.32 25.64 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.764 2.31 . . . . 25.0 113.989 173.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.31 -11.91 60.16 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.903 0.705 . . . . 25.0 112.903 -176.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.54 -16.08 46.85 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.007 0.373 . . . . 25.0 112.007 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.89 -1.92 57.76 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.115 -0.493 . . . . 25.0 112.04 -176.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -107.73 14.51 25.49 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.105 0.479 . . . . 25.0 110.491 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -82.72 162.7 21.69 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.854 -0.612 . . . . 25.0 110.869 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -78.39 -42.46 30.2 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.879 -0.6 . . . . 25.0 110.853 -176.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -74.21 -21.02 59.98 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 114.944 -1.025 . . . . 25.0 111.639 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 3.0 tpp -88.1 -37.26 16.38 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.388 -0.369 . . . . 25.0 111.05 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -56.86 -20.43 22.86 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 123.286 0.634 . . . . 25.0 112.364 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -69.56 -37.32 76.98 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.31 0.485 . . . . 25.0 112.31 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.505 HD21 HG22 ' B' ' 537' ' ' ILE . 23.2 mt -86.73 -28.4 23.09 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 121.271 -0.172 . . . . 25.0 110.761 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 54.5 t -56.88 -34.4 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 122.924 0.489 . . . . 25.0 109.858 171.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -83.46 -18.82 37.3 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.935 -1.03 . . . . 25.0 111.309 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -78.3 -35.68 47.5 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.528 -0.76 . . . . 25.0 110.383 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.46 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -83.2 -32.01 26.77 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.117 178.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -69.42 -19.3 63.79 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.721 -0.672 . . . . 25.0 110.631 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.83 -41.59 20.85 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.284 -0.871 . . . . 25.0 111.218 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 77.2 t -71.44 -43.84 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.02 0.378 . . . . 25.0 112.02 -174.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.458 ' HA ' ' CE ' ' A' ' 639' ' ' MET . 1.9 pp20? -54.01 -30.32 47.01 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.692 0.797 . . . . 25.0 112.197 -177.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . 0.431 ' O ' ' HD2' ' A' ' 640' ' ' TYR . . . -80.67 -19.62 67.83 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 116.308 -0.405 . . . . 25.0 113.419 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -85.45 -19.16 31.7 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.592 0.357 . . . . 25.0 111.802 178.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.661 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 68.3 mtm -70.87 -22.47 62.28 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 177.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.431 ' HD2' ' O ' ' A' ' 637' ' ' GLY . 0.0 OUTLIER -81.06 -29.85 34.91 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 116.492 -0.322 . . . . 25.0 111.14 -178.419 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -88.5 -21.71 24.02 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.267 -0.424 . . . . 25.0 111.818 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 78.2 p -94.65 -34.03 12.75 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.271 0.357 . . . . 25.0 111.871 -177.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -102.1 146.02 28.52 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.23 0.331 . . . . 25.0 111.726 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -114.03 -5.96 13.13 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.77 -0.65 . . . . 25.0 111.572 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 94.4 p -132.17 153.64 50.34 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.193 -0.458 . . . . 25.0 110.66 -177.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.547 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 0.2 OUTLIER -70.25 -24.35 63.06 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 -175.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 95.6 m-20 -81.47 -28.65 34.03 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 111.855 0.317 . . . . 25.0 111.855 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -86.02 -35.93 20.05 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.279 0.362 . . . . 25.0 110.382 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -60.36 -53.21 60.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.241 0.616 . . . . 25.0 111.036 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 646' ' ' ARG . 30.3 m-85 -71.49 -16.28 62.35 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 112.823 0.675 . . . . 25.0 112.823 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . 0.478 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 0.2 OUTLIER -84.83 -24.64 28.54 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.827 0.306 . . . . 25.0 111.827 -178.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 60.4 mt -73.89 -35.12 64.64 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.589 0.356 . . . . 25.0 111.903 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.661 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.9 OUTLIER -78.59 -30.61 46.77 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.729 174.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -78.58 -26.18 45.46 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.12 0.415 . . . . 25.0 112.12 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -78.25 -29.14 47.98 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 111.858 0.318 . . . . 25.0 111.858 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -70.51 -30.93 67.83 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 171.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 10.8 mt -68.6 -28.14 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 114.894 -1.048 . . . . 25.0 110.977 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -84.84 -32.89 23.02 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.3 -0.409 . . . . 25.0 110.785 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -75.88 -34.58 60.0 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.862 0.465 . . . . 25.0 112.156 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.417 HD13 ' CG1' ' A' ' 611' ' ' ILE . 59.0 mt -68.33 -32.23 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-O 121.048 0.451 . . . . 25.0 109.79 175.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -75.64 -19.26 59.31 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.1 -0.954 . . . . 25.0 112.139 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -80.5 -41.35 24.43 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.567 0.347 . . . . 25.0 111.909 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -71.22 -42.39 69.0 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 122.878 0.471 . . . . 25.0 111.763 -176.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.48 -18.83 62.27 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.533 -0.758 . . . . 25.0 112.552 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.475 0.802 0 C-N-CA 122.723 0.409 . . . . 25.0 111.14 -179.022 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 65.8 p . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 112.022 0.379 . . . . 25.0 112.022 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 537' ' ' ILE . . . . . 0.505 HG22 HD21 ' A' ' 628' ' ' LEU . 17.4 mt -86.62 -41.19 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 -172.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -79.57 -10.64 59.83 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 112.743 0.646 . . . . 25.0 112.743 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -100.2 -12.59 19.44 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.302 -0.863 . . . . 25.0 109.792 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 71.6 mtp -90.87 -27.37 18.84 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.854 -0.612 . . . . 25.0 111.169 171.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -89.85 -19.68 24.34 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.749 -0.659 . . . . 25.0 111.643 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -73.96 -24.4 59.63 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 111.646 0.239 . . . . 25.0 111.646 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.8 p -81.47 -23.57 37.34 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.806 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 544' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.08 -22.91 31.03 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.14 0.422 . . . . 25.0 112.14 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 545' ' ' LEU . . . . . 0.448 HD13 ' CG ' ' A' ' 612' ' ' PHE . 46.1 mt -82.44 -14.75 54.59 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.411 0.522 . . . . 25.0 112.411 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 71.5 mt -80.94 -33.03 34.28 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.001 0.429 . . . . 25.0 110.716 176.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.6 p -76.5 -15.96 59.76 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.226 -0.897 . . . . 25.0 112.228 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 25.0 mm100 -73.5 -12.5 60.81 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 -176.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 41.0 pt -104.66 -8.47 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 112.314 0.487 . . . . 25.0 112.314 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 67.2 p -99.35 -36.2 9.68 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.383 -0.371 . . . . 25.0 111.214 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 40.2 t . . . . . 0 C--O 1.253 1.26 0 CA-C-O 118.744 -0.646 . . . . 25.0 110.984 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.605 0 CA-C-O 119.698 -0.501 . . . . 25.0 113.935 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 8.7 p-90 -85.06 -36.39 21.25 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.996 0.398 . . . . 25.0 111.394 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -65.67 -34.96 79.42 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.249 0.62 . . . . 25.0 111.568 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -86.17 -18.97 30.81 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.333 0.396 . . . . 25.0 111.583 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -88.61 -26.45 21.9 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.802 -0.636 . . . . 25.0 111.121 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.471 HG13 HD23 ' A' ' 599' ' ' LEU . 31.2 t -85.89 132.2 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 53.3 p -108.59 -176.18 2.97 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.874 -0.603 . . . . 25.0 112.073 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -79.51 -18.1 52.65 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.235 -0.893 . . . . 25.0 110.146 171.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -82.49 -26.54 32.48 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-N 115.571 -0.74 . . . . 25.0 111.598 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.471 HD23 HG13 ' A' ' 595' ' ' VAL . 44.4 tp -65.71 -50.57 64.38 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 122.877 0.11 . . . . 25.0 111.242 172.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -57.77 -23.35 51.77 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.746 0.646 . . . . 25.0 112.746 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.8 p -84.24 -32.61 24.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.331 -0.395 . . . . 25.0 111.342 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -79.55 -23.28 42.94 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.891 0.476 . . . . 25.0 110.736 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -32.54 64.95 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.901 0.88 . . . . 25.0 110.367 174.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 40.8 t -83.33 -34.38 10.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-N 114.827 -1.079 . . . . 25.0 110.666 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -72.24 -17.77 61.88 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.377 0.423 . . . . 25.0 110.521 176.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -85.76 -22.4 27.75 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.554 -0.748 . . . . 25.0 109.422 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.622 HD23 ' HB1' ' A' ' 632' ' ' ALA . 2.4 tp -86.05 -37.93 18.38 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 114.449 -1.25 . . . . 25.0 111.254 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 40.6 t -70.23 -25.25 27.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 C-N-CA 123.493 0.717 . . . . 25.0 111.372 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -79.66 -36.59 37.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.062 0.458 . . . . 25.0 110.543 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -69.67 -21.9 63.48 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.02 -0.991 . . . . 25.0 112.148 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.401 ' CG1' HD13 ' A' ' 660' ' ' ILE . 76.6 mt -96.96 -59.33 3.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.224 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -144.84 104.14 4.51 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-O 119.578 -0.249 . . . . 25.0 110.794 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.2 133.03 10.66 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 122.391 2.061 . . . . 25.0 112.46 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 14.8 m -143.44 123.82 7.86 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -50.97 -52.85 8.22 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 124.174 3.249 . . . . 25.0 114.297 171.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -80.9 122.42 81.93 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.413 -0.812 . . . . 25.0 112.465 -175.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -64.08 -10.4 23.06 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 123.038 2.492 . . . . 25.0 113.937 172.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -71.7 -28.89 64.01 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.397 0.517 . . . . 25.0 112.397 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -86.06 -15.24 41.93 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.302 -0.408 . . . . 25.0 111.457 176.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.445 ' HA ' ' HG2' ' A' ' 625' ' ' MET . 83.0 mt -91.39 -21.98 20.71 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.677 -0.692 . . . . 25.0 110.916 -176.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -104.28 14.9 29.42 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 120.916 0.388 . . . . 25.0 110.918 -178.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -83.86 167.34 17.13 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.999 -0.546 . . . . 25.0 111.592 -175.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 92.5 mtm-85 -61.75 -54.8 37.54 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.215 0.606 . . . . 25.0 112.189 -177.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -20.3 65.99 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.27 0.628 . . . . 25.0 112.68 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.445 ' HG2' ' HA ' ' A' ' 620' ' ' LEU . 37.5 tpp -88.76 -39.64 13.78 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.081 0.238 . . . . 25.0 111.437 -177.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -54.14 -20.4 6.63 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 112.83 0.678 . . . . 25.0 112.83 -177.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -68.48 -36.79 79.45 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.518 0.327 . . . . 25.0 111.63 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.521 HD21 HG22 ' B' ' 537' ' ' ILE . 13.3 mt -86.97 -33.53 19.61 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 123.306 0.379 . . . . 25.0 110.862 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.415 HG12 ' HD2' ' A' ' 633' ' ' LYS . 73.3 t -56.28 -37.31 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 122.738 0.415 . . . . 25.0 110.004 172.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.594 ' HA ' ' HB2' ' A' ' 633' ' ' LYS . . . -80.67 -18.68 47.24 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.974 -1.012 . . . . 25.0 111.348 177.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . 0.454 ' O ' ' HB3' ' A' ' 634' ' ' LYS . 37.8 t80 -75.13 -35.82 61.65 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.488 -0.778 . . . . 25.0 110.603 175.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.622 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -84.33 -31.34 24.87 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.964 -0.562 . . . . 25.0 111.056 175.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.594 ' HB2' ' HA ' ' A' ' 630' ' ' ALA . 65.3 mttt -64.96 -19.16 65.83 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.816 -0.629 . . . . 25.0 110.315 171.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 631' ' ' TYR . 62.4 tttm -76.11 -53.79 7.79 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.722 -1.126 . . . . 25.0 111.12 176.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 632' ' ' ALA . 15.8 m -76.16 -23.83 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 115.504 -0.771 . . . . 25.0 112.596 -166.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.473 ' HA ' ' HE2' ' A' ' 639' ' ' MET . 3.0 pp20? -69.75 -34.91 74.45 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.044 0.537 . . . . 25.0 111.081 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -82.23 -20.65 62.2 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 116.169 -0.469 . . . . 25.0 113.617 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -82.08 -18.66 42.27 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.48 0.312 . . . . 25.0 111.551 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.521 ' HE1' HD22 ' A' ' 653' ' ' LEU . 26.9 mtm -73.31 -21.04 60.66 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.37 -0.377 . . . . 25.0 111.662 178.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -75.01 -31.71 61.46 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.317 0.647 . . . . 25.0 111.709 -176.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -88.55 -23.89 23.04 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.203 -0.453 . . . . 25.0 112.007 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 76.5 p -90.37 -36.36 14.67 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.009 0.374 . . . . 25.0 112.009 -176.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.72 156.23 18.23 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.67 0.388 . . . . 25.0 111.928 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -113.02 -18.99 12.06 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.881 -0.599 . . . . 25.0 111.718 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.3 p -132.6 157.7 44.08 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.244 -0.435 . . . . 25.0 110.475 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -73.31 -17.31 61.32 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -80.92 -28.23 35.87 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.316 0.385 . . . . 25.0 110.693 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -86.28 -42.45 13.74 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.271 -0.422 . . . . 25.0 110.294 176.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -56.17 -47.59 77.97 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.975 0.91 . . . . 25.0 111.894 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -69.2 -15.85 63.48 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.147 -0.479 . . . . 25.0 112.219 176.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.24 -24.18 30.12 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 -174.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.467 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 91.7 mt -72.94 -27.17 61.68 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 118.132 0.424 . . . . 25.0 111.572 176.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.521 HD22 ' HE1' ' A' ' 639' ' ' MET . 4.0 tp -87.24 -32.84 19.53 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.324 0.39 . . . . 25.0 111.428 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -74.22 -27.14 60.64 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.794 0.437 . . . . 25.0 112.007 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -78.42 -27.8 46.68 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.11 0.256 . . . . 25.0 111.682 177.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -71.17 -30.29 66.25 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 170.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 23.2 mt -67.95 -28.79 42.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.029 -0.987 . . . . 25.0 111.047 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -84.48 -33.83 23.51 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.266 -0.424 . . . . 25.0 110.728 178.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -76.76 -32.0 57.43 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.515 0.509 . . . . 25.0 112.156 -178.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.401 HD13 ' CG1' ' A' ' 611' ' ' ILE . 53.3 mt -68.72 -31.34 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.619 -0.512 . . . . 25.0 109.619 174.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -74.55 -19.56 60.29 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.304 -0.862 . . . . 25.0 112.296 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -78.66 -40.52 33.87 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.595 0.358 . . . . 25.0 111.412 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -67.42 -42.9 82.46 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.453 0.701 . . . . 25.0 111.931 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -73.94 -18.48 60.88 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.366 0.506 . . . . 25.0 112.366 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 . . . . . 0 CA--C 1.548 0.875 0 C-N-CA 122.988 0.515 . . . . 25.0 112.293 -177.276 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 29.8 m . . . . . 0 CA--C 1.532 0.269 0 N-CA-C 112.314 0.487 . . . . 25.0 112.314 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 537' ' ' ILE . . . . . 0.521 HG22 HD21 ' A' ' 628' ' ' LEU . 78.2 mt -81.67 -38.49 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -171.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.41 -11.0 59.41 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.774 0.657 . . . . 25.0 112.774 -175.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -101.88 -9.34 20.81 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.513 -0.767 . . . . 25.0 110.137 174.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 73.3 mtp -95.12 -29.02 14.78 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.764 -0.653 . . . . 25.0 111.233 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -90.76 -21.03 21.75 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.796 -0.638 . . . . 25.0 111.506 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -71.97 -24.64 61.63 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 111.86 0.319 . . . . 25.0 111.86 -176.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 79.9 p -81.51 -37.35 28.0 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.046 0.387 . . . . 25.0 112.046 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.0 -21.88 31.55 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.235 -0.438 . . . . 25.0 111.66 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 39.8 mt -84.37 -14.94 48.11 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.71 -0.677 . . . . 25.0 111.643 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 56.7 mt -82.0 -28.27 32.68 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 121.256 0.55 . . . . 25.0 110.108 168.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 6.1 p -71.84 -16.08 62.15 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.618 -1.173 . . . . 25.0 112.595 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -79.06 -11.51 60.0 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.08 0.4 . . . . 25.0 112.08 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 94.2 mt -97.06 -32.58 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 116.069 -0.514 . . . . 25.0 110.289 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 66.3 p -94.67 -32.79 13.22 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.379 -0.373 . . . . 25.0 111.612 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 N--CA 1.483 1.221 0 C-N-CA 124.131 0.973 . . . . 25.0 111.983 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 113.633 0.213 . . . . 25.0 113.633 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -84.31 -24.75 29.69 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.76 0.424 . . . . 25.0 112.026 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -74.7 -13.25 60.59 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 116.251 -0.432 . . . . 25.0 111.266 175.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -83.72 -30.46 26.69 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.375 0.509 . . . . 25.0 112.375 -177.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -103.47 -22.64 13.61 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.406 ' HA ' HD12 ' A' ' 599' ' ' LEU . 77.7 t -81.16 128.37 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 120.834 0.349 . . . . 25.0 110.105 178.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 53.3 p -111.13 -175.13 2.63 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.536 -0.757 . . . . 25.0 111.546 -177.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -69.6 -18.81 63.65 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.393 -0.821 . . . . 25.0 110.381 168.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -82.49 -37.5 25.23 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 115.829 -0.623 . . . . 25.0 112.299 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 595' ' ' VAL . 7.8 mt -60.31 -47.54 85.58 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 111.967 0.358 . . . . 25.0 111.967 175.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -60.36 -30.01 69.29 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.972 0.509 . . . . 25.0 111.782 -175.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.7 p -76.97 -27.3 54.71 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.524 -0.762 . . . . 25.0 111.548 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . 0.458 ' HA ' ' HB2' ' A' ' 605' ' ' HIS . 61.5 m170 -85.92 -21.4 27.97 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.663 0.385 . . . . 25.0 110.575 176.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 60.9 mt -76.29 -34.47 59.08 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.69 -0.686 . . . . 25.0 109.695 172.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 39.7 t -73.7 -35.01 42.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 115.134 -0.939 . . . . 25.0 110.819 172.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.458 ' HB2' ' HA ' ' A' ' 602' ' ' HIS . 2.8 m-70 -74.47 -17.19 60.81 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.407 0.283 . . . . 25.0 110.919 177.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -85.18 -25.52 27.34 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.985 0.898 . . . . 25.0 109.017 174.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.8 mt -86.54 -43.63 12.57 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 113.328 -1.76 . . . . 25.0 111.322 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 78.7 t -70.4 -25.6 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.614 0.766 . . . . 25.0 111.35 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -84.82 -29.14 25.62 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.519 0.2 . . . . 25.0 111.333 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -71.39 -33.67 69.7 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.044 173.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.519 HG12 HG21 ' A' ' 660' ' ' ILE . 97.0 mt -76.54 -52.37 17.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 115.801 -0.636 . . . . 25.0 109.34 174.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -143.95 116.03 5.64 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 116.37 -0.377 . . . . 25.0 110.661 172.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.11 125.36 11.87 Favored 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.214 1.942 . . . . 25.0 112.375 175.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 77.0 p -100.48 113.52 65.51 Favored Pre-proline 0 CA--C 1.535 0.369 0 N-CA-C 112.899 0.703 . . . . 25.0 112.899 -175.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -62.24 -51.93 3.11 Favored 'Trans proline' 0 C--N 1.368 1.587 0 C-N-CA 123.4 2.733 . . . . 25.0 112.493 166.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -106.42 123.13 39.81 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 114.726 -1.124 . . . . 25.0 111.441 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -61.6 -10.14 15.66 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 123.043 2.495 . . . . 25.0 113.966 173.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.12 -8.14 56.99 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.631 0.604 . . . . 25.0 112.631 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -80.48 -9.25 59.77 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.054 0.391 . . . . 25.0 112.054 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 81.4 mt -84.74 0.4 50.69 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.996 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -105.5 14.44 28.62 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 121.031 0.443 . . . . 25.0 110.564 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -89.42 157.15 18.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.853 -0.612 . . . . 25.0 110.843 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 14.9 mmp_? -79.4 -38.43 34.86 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.484 -0.78 . . . . 25.0 110.855 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 -69.7 -27.27 64.86 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.954 -1.021 . . . . 25.0 112.421 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 54.3 ttm -90.03 -37.48 14.27 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 123.283 0.364 . . . . 25.0 111.485 -177.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -56.09 -21.55 22.78 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.308 0.643 . . . . 25.0 112.679 -177.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -73.21 -34.53 65.98 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.081 0.4 . . . . 25.0 112.081 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.414 HD21 HG22 ' B' ' 537' ' ' ILE . 94.5 mt -86.29 -31.56 21.55 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 123.14 0.275 . . . . 25.0 110.44 178.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.6 -34.51 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.062 0.545 . . . . 25.0 110.292 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -78.8 -18.88 53.38 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.213 -0.903 . . . . 25.0 111.795 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -78.68 -37.6 41.36 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.11 -0.495 . . . . 25.0 110.138 172.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.404 ' HA ' ' HB ' ' A' ' 635' ' ' VAL . . . -79.22 -33.64 43.54 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.519 0.512 . . . . 25.0 111.845 -177.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -64.99 -30.42 71.41 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.208 0.603 . . . . 25.0 111.689 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.407 ' HE3' ' OD2' ' A' ' 638' ' ' ASP . 47.4 tptt -82.95 -31.4 27.69 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.412 -0.813 . . . . 25.0 110.245 174.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' A' ' 632' ' ' ALA . 1.2 t -73.15 -21.26 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 115.027 -0.988 . . . . 25.0 112.505 -173.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -82.31 -30.77 30.31 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 122.437 0.295 . . . . 25.0 110.726 176.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -81.25 -27.76 47.46 Favored Glycine 0 C--N 1.346 1.097 0 N-CA-C 114.506 0.562 . . . . 25.0 114.506 -173.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . 0.407 ' OD2' ' HE3' ' A' ' 634' ' ' LYS . 97.1 m-20 -72.89 -18.85 61.38 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 117.003 0.402 . . . . 25.0 112.015 179.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.551 ' SD ' ' HB3' ' A' ' 653' ' ' LEU . 61.4 mtt -75.73 -20.52 58.28 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.945 -0.571 . . . . 25.0 112.467 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.597 ' CE2' ' HG3' ' A' ' 641' ' ' GLU . 0.0 OUTLIER -74.51 -28.91 61.2 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.162 -0.472 . . . . 25.0 111.552 -177.626 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.597 ' HG3' ' CE2' ' A' ' 640' ' ' TYR . 92.9 mt-10 -88.9 -21.81 23.44 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.165 -0.47 . . . . 25.0 112.029 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 34.7 m -92.47 -45.33 8.2 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -175.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -83.09 147.98 27.79 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.805 0.298 . . . . 25.0 111.805 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -105.74 -17.77 14.28 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.896 -0.593 . . . . 25.0 111.468 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 79.8 p -131.76 163.33 28.44 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.666 0.27 . . . . 25.0 110.917 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -72.92 -29.47 63.14 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.962 -175.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -81.37 -23.97 37.33 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.511 0.324 . . . . 25.0 111.871 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -85.56 -38.8 18.09 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.819 -0.437 . . . . 25.0 109.819 176.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . 0.46 ' HD2' ' CE2' ' A' ' 650' ' ' TYR . 71.4 t80 -55.26 -49.2 72.64 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.808 0.843 . . . . 25.0 111.78 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.577 ' HA ' HD23 ' A' ' 653' ' ' LEU . 21.2 m-30 -68.96 -15.92 63.61 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.66 0.615 . . . . 25.0 112.66 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.2 -24.75 34.76 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.687 0.625 . . . . 25.0 112.687 -174.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 95.0 mt -71.84 -31.67 66.74 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.006 0.372 . . . . 25.0 112.006 176.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.577 HD23 ' HA ' ' A' ' 650' ' ' TYR . 0.3 OUTLIER -86.08 -31.25 22.01 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.439 0.296 . . . . 25.0 111.639 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.464 ' N ' ' HG ' ' A' ' 653' ' ' LEU . . . -72.35 -28.65 63.18 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.716 0.406 . . . . 25.0 111.957 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 659' ' ' LYS . 95.7 mt-10 -78.81 -26.0 44.24 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.057 0.391 . . . . 25.0 112.057 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.4 ' HG3' ' CD1' ' A' ' 660' ' ' ILE . 50.9 tptt -74.03 -29.48 61.95 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 109.326 -0.62 . . . . 25.0 109.326 169.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 7.8 mt -68.84 -38.93 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.61 -0.723 . . . . 25.0 111.061 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -84.21 -26.15 28.94 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.942 0.401 . . . . 25.0 110.446 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 655' ' ' GLU . 81.7 mttt -79.35 -29.5 42.26 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.251 -0.886 . . . . 25.0 112.043 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.519 HG21 HG12 ' A' ' 611' ' ' ILE . 62.0 mt -80.2 -23.55 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 121.043 0.449 . . . . 25.0 110.059 175.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -70.45 -19.2 62.98 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.956 174.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -74.74 -41.91 59.25 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.904 0.482 . . . . 25.0 111.956 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -70.43 -46.75 63.29 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.376 0.671 . . . . 25.0 112.686 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.5 -21.44 60.15 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 112.303 0.482 . . . . 25.0 112.303 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 122.556 0.342 . . . . 25.0 111.02 179.875 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 89.7 p . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 112.21 0.448 . . . . 25.0 112.21 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 537' ' ' ILE . . . . . 0.414 HG22 HD21 ' A' ' 628' ' ' LEU . 96.0 mt -85.96 -43.34 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 111.798 0.296 . . . . 25.0 111.798 -173.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -77.9 -10.47 59.59 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.453 0.538 . . . . 25.0 112.453 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -101.1 -7.11 23.49 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.336 -0.847 . . . . 25.0 110.138 175.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 57.7 ttm -95.79 -30.54 13.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.961 -0.563 . . . . 25.0 111.158 171.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 541' ' ' ASP . . . . . 0.506 ' O ' ' HB2' ' B' ' 545' ' ' LEU . 28.4 m-20 -88.79 -19.51 25.9 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.977 -0.556 . . . . 25.0 112.338 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -75.51 -21.22 58.17 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 111.916 0.339 . . . . 25.0 111.916 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 88.5 p -81.58 -37.18 28.1 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.06 0.393 . . . . 25.0 112.06 -177.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -81.81 -21.63 37.55 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.804 0.442 . . . . 25.0 111.196 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 545' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' B' ' 541' ' ' ASP . 1.5 mp -77.89 -18.59 56.0 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 115.356 -0.838 . . . . 25.0 111.703 -178.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 69.7 mt -87.91 -28.04 21.78 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.984 0.421 . . . . 25.0 111.181 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 77.2 p -74.64 -16.57 60.77 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.33 -0.85 . . . . 25.0 112.4 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -88.51 -14.83 36.82 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -178.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 74.5 mt -105.08 -25.54 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 116.027 -0.533 . . . . 25.0 112.05 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 93.3 p -97.88 -39.46 8.98 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.199 0.312 . . . . 25.0 111.359 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 117.915 -1.04 . . . . 25.0 110.924 -179.924 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 CA-C-O 120.42 -0.1 . . . . 25.0 113.017 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -84.51 -31.56 24.4 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.149 0.58 . . . . 25.0 112.285 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -67.47 -32.19 72.86 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.428 0.291 . . . . 25.0 111.614 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -87.99 -10.68 49.67 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.285 0.366 . . . . 25.0 111.486 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -103.06 -26.71 12.95 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.916 -0.584 . . . . 25.0 111.462 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.449 HG22 HD12 ' A' ' 599' ' ' LEU . 21.4 t -85.01 127.23 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 178.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 64.0 p -104.63 175.54 5.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.784 -0.644 . . . . 25.0 111.851 -176.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -66.2 -18.94 65.66 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.039 -0.982 . . . . 25.0 110.046 166.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -82.07 -30.97 31.04 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.938 -0.573 . . . . 25.0 111.926 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.449 HD12 HG22 ' A' ' 595' ' ' VAL . 9.7 mt -67.25 -44.66 78.87 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 117.593 0.179 . . . . 25.0 111.252 174.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -53.83 -32.45 52.91 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.923 0.392 . . . . 25.0 111.18 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 66.1 p -85.04 -30.93 23.72 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.142 -0.935 . . . . 25.0 111.96 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -77.8 -36.17 50.64 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.6 0.36 . . . . 25.0 111.651 -176.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 607' ' ' LEU . 86.2 mt -63.46 -29.91 71.12 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 122.988 0.515 . . . . 25.0 111.838 172.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 82.4 t -82.3 -26.78 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 CA-C-N 115.472 -0.785 . . . . 25.0 110.174 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -83.71 -18.39 38.07 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.241 -0.436 . . . . 25.0 110.307 173.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -86.15 -21.9 27.31 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.404 -0.816 . . . . 25.0 109.25 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.594 HD23 ' HB1' ' A' ' 632' ' ' ALA . 1.1 tp -86.73 -49.12 7.69 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 114.285 -1.325 . . . . 25.0 111.709 -178.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.63 -25.55 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.298 0.639 . . . . 25.0 111.682 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -83.16 -29.31 28.72 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 120.527 0.203 . . . . 25.0 111.284 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.65 -32.28 53.16 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.912 -0.586 . . . . 25.0 111.53 176.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.674 HG12 HG21 ' A' ' 660' ' ' ILE . 87.1 mt -78.78 -55.65 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 116.282 -0.417 . . . . 25.0 110.012 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' B' ' 545' ' ' LEU . 59.7 t80 -138.01 103.54 8.18 Favored Pre-proline 0 CA--C 1.549 0.917 0 O-C-N 123.236 0.335 . . . . 25.0 110.506 175.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -79.06 135.56 12.41 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.509 2.139 . . . . 25.0 112.549 173.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 2.5 t -151.99 127.54 4.94 Favored Pre-proline 0 CA--C 1.544 0.739 0 CA-C-N 116.407 -0.36 . . . . 25.0 111.909 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -49.1 -55.02 4.55 Favored 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 124.065 3.176 . . . . 25.0 114.533 173.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -73.65 116.38 51.13 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.514 -176.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -66.43 -10.53 28.03 Favored 'Trans proline' 0 C--N 1.375 1.933 0 C-N-CA 122.775 2.316 . . . . 25.0 113.814 173.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -72.74 -11.98 60.83 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -178.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.07 -14.97 52.73 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.696 0.398 . . . . 25.0 111.848 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 88.8 mt -83.34 -6.89 59.61 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.062 -0.517 . . . . 25.0 112.182 -176.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -106.43 14.91 26.66 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.108 0.48 . . . . 25.0 110.544 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -79.4 165.44 23.1 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.859 -0.61 . . . . 25.0 111.297 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 96.6 mtm-85 -72.31 -54.68 8.81 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 122.848 0.459 . . . . 25.0 111.67 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.493 HH11 ' HB2' ' B' ' 544' ' ' ALA . 95.7 mtt180 -69.07 -27.03 65.27 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.883 0.697 . . . . 25.0 112.883 -177.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -78.52 -38.83 39.73 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 111.636 0.236 . . . . 25.0 111.636 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.87 -20.03 20.85 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.103 0.561 . . . . 25.0 112.124 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -71.85 -35.96 70.01 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.9 0.48 . . . . 25.0 111.913 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.51 HD11 ' CB ' ' B' ' 541' ' ' ASP . 0.6 OUTLIER -86.47 -28.83 23.23 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 110.495 -0.187 . . . . 25.0 110.495 178.396 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.47 -32.76 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.013 0.525 . . . . 25.0 109.968 170.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -82.11 -18.94 41.23 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.786 -1.097 . . . . 25.0 111.454 177.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . 0.47 ' CD1' ' HA ' ' A' ' 628' ' ' LEU . 12.3 m-30 -75.93 -37.12 59.05 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.769 -0.651 . . . . 25.0 110.982 173.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.594 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -84.71 -24.43 28.92 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.255 0.347 . . . . 25.0 111.485 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -66.41 -31.22 71.85 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.193 0.597 . . . . 25.0 112.142 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -87.22 -24.62 24.36 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.826 1.047 . . . . 25.0 113.826 -177.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 5.1 t -69.49 -51.68 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 112.963 0.727 . . . . 25.0 112.963 -170.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -63.84 -20.42 65.79 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.887 0.699 . . . . 25.0 112.887 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -76.52 -24.98 66.49 Favored Glycine 0 C--N 1.343 0.96 0 O-C-N 123.276 0.36 . . . . 25.0 112.76 174.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -87.5 -19.45 27.92 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.889 0.476 . . . . 25.0 110.651 176.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.421 ' HE3' ' HB3' ' A' ' 639' ' ' MET . 4.3 mtp -70.68 -22.27 62.49 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.189 0.596 . . . . 25.0 112.232 178.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -73.99 -30.81 62.67 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.116 0.567 . . . . 25.0 111.57 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -88.58 -24.58 22.82 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.921 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 52.1 m -92.45 -35.28 13.74 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.131 0.419 . . . . 25.0 112.131 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -94.99 138.61 32.49 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.132 0.27 . . . . 25.0 111.408 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -107.69 -9.32 15.86 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.941 -0.572 . . . . 25.0 111.87 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 6.6 p -132.97 156.33 47.49 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.227 -0.442 . . . . 25.0 110.452 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 54.0 ptt85 -76.35 -18.32 58.96 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.888 -0.596 . . . . 25.0 111.555 -177.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -80.88 -25.29 37.71 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.332 0.395 . . . . 25.0 111.206 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -86.75 -45.27 11.09 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.011 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -53.9 -52.43 60.53 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.561 0.744 . . . . 25.0 111.4 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -72.06 -15.88 62.02 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.109 0.781 . . . . 25.0 113.109 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -83.1 -40.9 19.23 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 122.992 0.182 . . . . 25.0 110.872 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 73.6 mt -59.51 -42.87 93.18 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.76 0.824 . . . . 25.0 112.568 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 653' ' ' LEU . 0.4 OUTLIER -74.28 -23.44 59.11 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.527 0.565 . . . . 25.0 112.527 176.483 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -84.8 -32.73 23.19 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 177.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -83.7 -21.32 32.39 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.076 0.235 . . . . 25.0 111.402 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -71.51 -31.49 67.13 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 167.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 5.4 mt -68.41 -29.93 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 114.775 -1.102 . . . . 25.0 109.862 173.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . 0.423 ' O ' ' HB2' ' A' ' 662' ' ' LYS . 87.4 t80 -85.12 -30.64 23.84 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.645 -0.707 . . . . 25.0 110.786 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.487 ' HE2' ' OE2' ' A' ' 663' ' ' GLU . 88.1 tttt -72.33 -40.57 67.33 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.554 0.576 . . . . 25.0 112.554 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.674 HG21 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -67.86 -31.86 53.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 CA-C-N 115.572 -0.74 . . . . 25.0 110.043 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -75.5 -21.69 57.81 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.879 -0.601 . . . . 25.0 111.781 172.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 658' ' ' TYR . 61.4 tttm -85.21 -46.82 10.7 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.885 1.274 . . . . 25.0 110.972 -176.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . 0.487 ' OE2' ' HE2' ' A' ' 659' ' ' LYS . 97.3 mt-10 -62.95 -41.14 99.41 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.572 -0.74 . . . . 25.0 112.682 -178.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.99 -28.79 69.27 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.356 0.502 . . . . 25.0 112.356 174.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 . . . . . 0 N--CA 1.472 0.663 0 C-N-CA 122.517 0.327 . . . . 25.0 111.49 177.685 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 N--CA 1.467 0.401 0 N-CA-C 112.112 0.412 . . . . 25.0 112.112 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 91.9 mt -87.19 -33.76 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 -174.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.44 -11.42 59.25 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -100.67 -7.17 24.15 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.369 -0.832 . . . . 25.0 109.626 174.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 56.5 ttm -97.39 -32.07 12.05 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.077 -0.965 . . . . 25.0 109.804 174.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 541' ' ' ASP . . . . . 0.558 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 50.3 m-20 -89.69 -20.14 23.99 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.178 -0.919 . . . . 25.0 111.851 -178.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -73.32 -27.59 61.6 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 122.154 0.182 . . . . 25.0 111.095 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.9 p -82.04 -26.38 33.81 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.05 -0.523 . . . . 25.0 111.723 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 544' ' ' ALA . . . . . 0.493 ' HB2' HH11 ' A' ' 624' ' ' ARG . . . -82.91 -22.17 33.98 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.909 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 545' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 40.5 mt -82.58 -14.83 54.16 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.495 0.554 . . . . 25.0 112.495 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 88.3 mt -72.64 -29.94 63.88 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 120.858 0.361 . . . . 25.0 111.293 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.9 p -75.56 -16.23 60.28 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.377 -0.828 . . . . 25.0 111.936 177.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . 0.513 ' NE2' HD23 ' B' ' 545' ' ' LEU . 95.1 mt-30 -73.53 -11.25 60.38 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.581 0.585 . . . . 25.0 112.581 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 89.5 mt -91.56 -32.23 5.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 115.947 -0.57 . . . . 25.0 110.67 -178.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 61.8 p -89.98 -37.02 14.63 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.327 0.392 . . . . 25.0 111.732 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.823 -0.608 . . . . 25.0 110.955 179.314 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 114.302 0.481 . . . . 25.0 114.302 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 591' ' ' TRP . . . . . 0.649 ' NE1' HG21 ' A' ' 595' ' ' VAL . 13.6 t90 -70.74 -33.59 70.98 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 112.554 0.576 . . . . 25.0 112.554 -177.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -72.64 -13.35 61.35 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 116.55 -0.295 . . . . 25.0 111.401 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -82.26 -29.25 31.35 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.153 0.427 . . . . 25.0 112.153 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -106.69 -24.84 11.99 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.043 0.757 . . . . 25.0 113.043 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.649 HG21 ' NE1' ' A' ' 591' ' ' TRP . 77.3 t -79.38 125.11 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 178.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 80.3 p -112.78 -176.06 2.82 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.953 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -69.94 -19.04 63.4 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.105 -0.952 . . . . 25.0 109.689 166.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -81.97 -44.88 16.14 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.056 -0.52 . . . . 25.0 111.295 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.572 HD23 HG22 ' A' ' 595' ' ' VAL . 63.4 tp -59.43 -45.03 92.72 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 111.902 0.334 . . . . 25.0 111.902 175.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.528 ' HG2' ' OE2' ' A' ' 636' ' ' GLU . 85.6 mtp180 -62.07 -23.48 66.53 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 -177.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 58.4 p -83.56 -28.62 28.45 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.051 -0.522 . . . . 25.0 110.763 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -78.98 -22.54 45.44 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.459 0.703 . . . . 25.0 111.574 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 71.4 mt -80.89 -35.17 32.93 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.541 -0.754 . . . . 25.0 109.822 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 50.6 t -75.04 -30.79 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 CA-C-N 115.051 -0.977 . . . . 25.0 110.71 172.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.584 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 64.2 t60 -78.43 -17.88 55.75 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.554 0.342 . . . . 25.0 110.942 177.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -85.21 -24.91 27.65 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 122.104 0.954 . . . . 25.0 109.18 174.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.542 ' CD2' ' HB1' ' A' ' 632' ' ' ALA . 17.4 tp -87.6 -38.23 16.12 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 113.108 -1.86 . . . . 25.0 111.885 -173.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 40.6 t -72.63 -27.49 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.18 0.592 . . . . 25.0 111.33 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 97.1 mm-40 -80.17 -36.0 35.66 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-O 120.931 0.396 . . . . 25.0 110.664 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.461 ' CB ' HG12 ' A' ' 657' ' ' ILE . . . -64.28 -34.12 77.39 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.158 -0.928 . . . . 25.0 111.839 174.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.586 HG12 HG21 ' A' ' 660' ' ' ILE . 96.0 mt -80.22 -56.15 7.29 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 N-CA-C 109.452 -0.574 . . . . 25.0 109.452 176.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.423 ' CD2' HD13 ' B' ' 545' ' ' LEU . 76.6 t80 -141.31 113.8 6.78 Favored Pre-proline 0 CA--C 1.549 0.923 0 O-C-N 123.322 0.389 . . . . 25.0 110.206 173.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.12 140.49 92.66 Favored 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.472 2.115 . . . . 25.0 112.758 175.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 86.2 m -99.53 115.01 65.96 Favored Pre-proline 0 C--O 1.236 0.366 0 N-CA-C 113.002 0.741 . . . . 25.0 113.002 -176.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.474 ' HG2' HD13 ' B' ' 549' ' ' ILE . 50.0 Cg_exo -69.13 -55.61 0.19 Allowed 'Trans proline' 0 C--N 1.367 1.525 0 C-N-CA 123.215 2.61 . . . . 25.0 112.382 166.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -127.68 141.51 41.25 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 115.353 -0.839 . . . . 25.0 111.544 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -58.9 -13.21 17.54 Favored 'Trans proline' 0 C--N 1.371 1.759 0 C-N-CA 124.023 3.149 . . . . 25.0 114.113 173.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.44 -34.96 58.74 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.688 0.395 . . . . 25.0 111.794 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.44 -26.64 61.03 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.079 0.466 . . . . 25.0 110.909 173.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 18.4 tp -81.93 -10.14 59.37 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.004 -0.998 . . . . 25.0 111.711 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -102.88 14.54 31.7 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.232 -0.44 . . . . 25.0 110.494 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -82.53 161.91 22.18 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.755 -0.657 . . . . 25.0 111.148 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.5 mmp_? -79.28 -39.8 32.07 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.615 -0.721 . . . . 25.0 110.626 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -68.01 -24.8 65.15 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 114.74 -1.118 . . . . 25.0 112.178 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -88.35 -38.21 15.32 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.332 -0.395 . . . . 25.0 111.141 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -55.92 -20.3 15.42 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.427 0.691 . . . . 25.0 112.395 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -69.99 -36.05 74.86 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.479 0.548 . . . . 25.0 112.479 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 16.0 mt -86.58 -29.25 22.76 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 110.589 -0.152 . . . . 25.0 110.589 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 73.3 t -56.87 -35.46 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 120.99 0.424 . . . . 25.0 109.867 171.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -75.74 -18.81 59.43 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.109 -0.95 . . . . 25.0 111.36 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . 0.482 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 60.1 t80 -78.82 -35.17 44.52 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.613 -0.721 . . . . 25.0 110.74 172.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.542 ' HB1' ' CD2' ' A' ' 607' ' ' LEU . . . -83.48 -29.05 28.3 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.405 0.44 . . . . 25.0 111.458 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -64.92 -38.81 92.21 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.261 0.553 . . . . 25.0 111.341 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -77.21 -28.81 53.95 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 114.706 -1.134 . . . . 25.0 111.002 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.436 ' HB ' ' HA ' ' A' ' 632' ' ' ALA . 1.2 t -74.4 -44.33 48.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 115.369 -0.832 . . . . 25.0 112.11 -170.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.528 ' OE2' ' HG2' ' A' ' 600' ' ' ARG . 12.1 tm-20 -65.73 -29.01 69.47 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.126 0.57 . . . . 25.0 111.356 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -74.84 -19.04 80.09 Favored Glycine 0 C--N 1.344 0.986 0 CA-C-N 116.116 -0.493 . . . . 25.0 113.358 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -79.18 -19.26 51.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.836 0.454 . . . . 25.0 111.099 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.592 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 14.2 mtt -76.02 -24.17 55.23 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.445 0.535 . . . . 25.0 112.445 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -27.54 50.66 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.349 -0.387 . . . . 25.0 111.3 -177.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -88.73 -21.4 23.87 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.901 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 m -94.59 -46.0 7.15 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.841 0.312 . . . . 25.0 111.841 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -88.75 152.19 21.94 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.857 0.318 . . . . 25.0 111.857 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -116.87 -9.04 11.26 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.066 -0.515 . . . . 25.0 112.03 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 49.4 m -132.34 155.97 47.44 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 122.557 0.343 . . . . 25.0 110.475 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.584 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 1.5 ptt-85 -70.26 -24.8 63.12 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -177.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -81.44 -25.15 36.38 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.193 0.308 . . . . 25.0 111.278 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 651' ' ' HIS . 36.1 mm-40 -86.38 -46.8 9.92 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.069 176.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . 0.478 ' OH ' ' OE2' ' A' ' 636' ' ' GLU . 74.2 t80 -53.96 -54.1 43.67 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.926 0.89 . . . . 25.0 111.764 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 646' ' ' ARG . 22.6 m-85 -64.01 -15.13 58.69 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 176.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' A' ' 648' ' ' GLU . 84.7 t60 -81.84 -43.36 18.34 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 119.331 -0.366 . . . . 25.0 111.858 -177.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.45 ' HB2' ' HG2' ' A' ' 639' ' ' MET . 97.1 mt -59.79 -23.04 62.98 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.159 0.8 . . . . 25.0 113.159 -178.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.592 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 51.4 tp -87.66 -39.94 14.59 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 110.51 -0.181 . . . . 25.0 110.51 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.467 ' O ' ' CD1' ' A' ' 658' ' ' TYR . . . -69.83 -25.16 63.62 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.495 0.497 . . . . 25.0 111.492 175.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.78 -35.63 29.37 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.143 176.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 652' ' ' LEU . 31.9 mttt -71.88 -22.34 61.52 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.461 0.476 . . . . 25.0 109.718 173.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.461 HG12 ' CB ' ' A' ' 610' ' ' ALA . 2.0 mt -72.87 -29.99 31.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 115.604 -0.725 . . . . 25.0 110.253 176.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . 0.467 ' CD1' ' O ' ' A' ' 654' ' ' ALA . 27.9 m-85 -85.11 -30.91 23.65 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.337 -0.392 . . . . 25.0 111.156 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -76.64 -34.58 58.31 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.586 HG21 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -73.34 -32.81 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.762 -0.459 . . . . 25.0 109.762 176.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -67.52 -20.04 65.38 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.493 -0.776 . . . . 25.0 112.273 174.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -72.89 -36.97 67.43 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.867 0.467 . . . . 25.0 111.764 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -69.89 -48.02 60.29 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.568 0.747 . . . . 25.0 111.489 -177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 98.7 mt -68.27 -18.85 64.64 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.591 0.589 . . . . 25.0 112.591 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 . . . . . 0 CA--C 1.543 0.697 0 C-N-CA 122.442 0.297 . . . . 25.0 111.07 178.838 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 85.1 p . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 112.039 0.385 . . . . 25.0 112.039 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 85.3 mt -86.76 -32.71 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 111.876 0.325 . . . . 25.0 111.876 -175.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.42 -11.43 59.26 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.641 0.608 . . . . 25.0 112.641 -176.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -98.21 -14.58 20.26 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.505 -0.77 . . . . 25.0 110.02 175.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 94.5 mtp -91.48 -27.84 18.0 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.452 -0.795 . . . . 25.0 110.973 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -92.61 -19.84 21.49 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.613 -178.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -76.5 -26.79 55.66 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.464 0.173 . . . . 25.0 111.209 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.8 p -81.62 -23.52 36.97 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.472 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 544' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' B' ' 548' ' ' GLN . . . -84.24 -22.88 30.65 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.983 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 545' ' ' LEU . . . . . 0.423 HD13 ' CD2' ' A' ' 612' ' ' PHE . 61.2 mt -81.31 -15.41 55.48 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.389 0.515 . . . . 25.0 112.389 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 98.3 mt -82.13 -42.0 19.71 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 120.889 0.376 . . . . 25.0 110.695 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 89.7 p -76.33 -15.77 59.9 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.297 -0.865 . . . . 25.0 111.309 175.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' B' ' 544' ' ' ALA . 46.8 tp60 -75.98 -24.69 55.37 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.266 0.626 . . . . 25.0 111.907 -177.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . 0.474 HD13 ' HG2' ' A' ' 615' ' ' PRO . 14.2 mt -102.35 -28.8 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 115.467 -0.788 . . . . 25.0 112.199 -179.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 94.7 p -92.66 -24.07 18.77 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.268 0.355 . . . . 25.0 111.847 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.486 1.333 0 C-N-CA 124.381 1.072 . . . . 25.0 112.701 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.588 0 CA-C-O 120.123 -0.265 . . . . 25.0 113.671 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -79.25 -27.37 42.37 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.182 0.438 . . . . 25.0 112.182 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -13.23 61.27 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.421 175.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -86.44 -31.63 21.29 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.542 0.571 . . . . 25.0 112.542 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -102.13 -21.25 14.45 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.126 0.787 . . . . 25.0 113.126 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.448 HG22 HD12 ' A' ' 599' ' ' LEU . 53.6 t -79.13 129.01 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-O 121.105 0.478 . . . . 25.0 110.721 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 80.3 p -111.48 -176.03 2.85 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.788 -1.096 . . . . 25.0 111.179 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -75.42 -17.09 60.27 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.08 167.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -78.0 -33.13 51.41 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 115.95 -0.568 . . . . 25.0 111.888 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.448 HD12 HG22 ' A' ' 595' ' ' VAL . 9.9 mt -62.9 -47.87 81.42 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 112.013 0.375 . . . . 25.0 112.013 174.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -60.19 -21.79 62.16 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.59 0.589 . . . . 25.0 112.59 -175.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.8 p -83.41 -30.58 27.22 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.13 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -82.21 -20.21 38.2 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.418 0.449 . . . . 25.0 110.434 176.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.612 ' O ' HD21 ' A' ' 653' ' ' LEU . 26.8 mt -76.4 -35.11 58.78 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.53 -0.759 . . . . 25.0 109.958 174.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 39.6 t -74.73 -35.56 37.47 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-N 115.216 -0.902 . . . . 25.0 110.755 172.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.558 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 76.1 t60 -73.35 -16.74 61.34 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.854 0.359 . . . . 25.0 110.817 176.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -84.83 -28.56 25.99 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.198 0.999 . . . . 25.0 108.756 176.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.683 ' HB2' HD11 ' A' ' 653' ' ' LEU . 14.4 tp -87.61 -41.21 13.58 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 112.962 -1.926 . . . . 25.0 111.788 -173.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 42.5 t -72.8 -24.99 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.274 0.63 . . . . 25.0 111.159 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 98.5 mm-40 -82.05 -27.83 32.78 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.654 0.264 . . . . 25.0 111.398 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -75.95 -29.75 58.4 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.882 -0.599 . . . . 25.0 111.538 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.559 HG12 HG21 ' A' ' 660' ' ' ILE . 97.5 mt -82.79 -56.5 5.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 N-CA-C 109.473 -0.566 . . . . 25.0 109.473 177.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -141.78 110.03 6.11 Favored Pre-proline 0 CA--C 1.549 0.919 0 O-C-N 123.339 0.399 . . . . 25.0 110.381 173.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -66.9 136.13 40.4 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 122.415 2.077 . . . . 25.0 112.324 173.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.19 114.35 61.29 Favored Pre-proline 0 C--O 1.236 0.381 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 -176.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -60.83 -52.46 3.63 Favored 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 123.362 2.708 . . . . 25.0 112.755 167.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -108.97 123.43 37.02 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 114.892 -1.049 . . . . 25.0 111.357 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -61.62 -10.2 15.9 Favored 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 123.095 2.53 . . . . 25.0 114.201 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.82 -8.14 57.62 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.616 0.599 . . . . 25.0 112.616 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.0 -8.02 59.68 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.726 0.41 . . . . 25.0 112.076 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 95.1 mt -83.55 2.92 34.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.101 -0.5 . . . . 25.0 112.195 -175.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -101.52 14.51 31.74 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.097 0.475 . . . . 25.0 110.45 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -88.92 150.02 23.05 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.701 -0.681 . . . . 25.0 110.707 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -79.81 -36.09 37.44 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.44 -0.8 . . . . 25.0 110.875 -175.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.438 ' HE ' ' CB ' ' B' ' 544' ' ' ALA . 73.8 mtp85 -69.64 -28.08 65.59 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.809 -1.087 . . . . 25.0 112.08 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 15.9 ttt -86.34 -35.3 19.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.229 -0.441 . . . . 25.0 111.358 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -55.8 -21.14 17.89 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -77.99 -28.42 49.3 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.49 0.316 . . . . 25.0 111.44 176.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.75 -32.34 21.91 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.064 -0.516 . . . . 25.0 110.271 175.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.61 HG12 ' HD2' ' A' ' 633' ' ' LYS . 74.5 t -60.93 -33.91 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 122.978 0.511 . . . . 25.0 110.092 170.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -83.96 -19.13 35.14 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.457 -0.792 . . . . 25.0 112.111 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -73.81 -40.94 62.99 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.407 -0.361 . . . . 25.0 110.14 171.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.516 ' HB1' ' CD2' ' A' ' 607' ' ' LEU . . . -80.12 -31.6 39.1 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.738 -176.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.61 ' HD2' HG12 ' A' ' 629' ' ' VAL . 41.6 mttt -68.61 -21.11 64.51 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.787 -0.642 . . . . 25.0 110.752 177.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -86.67 -39.45 16.05 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.132 -0.94 . . . . 25.0 112.472 -177.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.413 HG11 ' HD2' ' A' ' 656' ' ' LYS . 53.2 t -68.08 -52.02 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 113.821 1.045 . . . . 25.0 113.821 -166.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.403 ' HA ' ' HG3' ' A' ' 639' ' ' MET . 2.9 pp20? -57.94 -20.39 37.31 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 113.419 0.896 . . . . 25.0 113.419 -176.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.49 -23.48 77.99 Favored Glycine 0 C--N 1.345 1.066 0 C-N-CA 121.673 -0.299 . . . . 25.0 113.04 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -87.21 -19.53 28.24 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 122.993 0.517 . . . . 25.0 111.176 175.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.559 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 9.0 mtm -71.62 -28.77 64.02 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.834 177.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -77.24 -25.07 51.19 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.019 -0.537 . . . . 25.0 110.416 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -89.05 -26.14 21.58 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.15 0.98 . . . . 25.0 111.206 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 34.7 m -96.36 -46.17 6.51 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -177.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -85.37 153.2 22.69 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.852 0.316 . . . . 25.0 111.852 -178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -114.83 -12.31 12.12 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.88 -0.6 . . . . 25.0 112.064 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.2 p -131.9 158.85 40.29 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.537 0.335 . . . . 25.0 110.54 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 73.1 ttt-85 -72.61 -25.01 61.15 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.024 -0.535 . . . . 25.0 112.208 -174.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -81.0 -25.22 37.39 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.182 0.302 . . . . 25.0 111.416 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 651' ' ' HIS . 25.1 tp10 -86.08 -45.21 11.61 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.13 -0.486 . . . . 25.0 109.87 175.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . 0.47 ' HD2' ' CD1' ' A' ' 650' ' ' TYR . 76.4 t80 -54.8 -50.46 68.47 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.691 0.796 . . . . 25.0 111.746 178.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.47 ' CD1' ' HD2' ' A' ' 649' ' ' TYR . 9.4 m-85 -68.63 -15.07 63.41 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 112.346 0.498 . . . . 25.0 112.346 176.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . 0.413 ' HB3' ' O ' ' A' ' 648' ' ' GLU . 77.8 t60 -82.19 -40.21 22.06 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.142 0.423 . . . . 25.0 112.142 -177.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 87.1 mt -59.6 -27.22 66.1 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 178.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' A' ' 607' ' ' LEU . 57.9 tp -86.69 -31.46 21.02 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.406 0.282 . . . . 25.0 110.974 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.43 -25.0 60.32 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.351 174.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -73.44 -39.54 64.9 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.191 -0.459 . . . . 25.0 112.063 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.413 ' HD2' HG11 ' A' ' 635' ' ' VAL . 59.5 mttp -67.97 -27.37 66.54 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.603 -0.518 . . . . 25.0 109.603 173.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 17.6 mt -71.9 -30.37 36.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 115.298 -0.865 . . . . 25.0 110.555 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -84.54 -32.83 23.66 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.266 -0.425 . . . . 25.0 111.129 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -77.17 -31.54 55.55 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.202 -0.454 . . . . 25.0 112.145 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.559 HG21 HG12 ' A' ' 611' ' ' ILE . 95.0 mt -78.36 -23.84 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-O 121.113 0.483 . . . . 25.0 109.919 176.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -76.46 -19.7 57.77 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.617 -0.72 . . . . 25.0 111.961 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 665' ' ' GLU . 57.9 tttm -75.91 -39.59 56.0 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.811 0.444 . . . . 25.0 111.89 177.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.31 -47.28 64.93 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.414 0.686 . . . . 25.0 112.546 -176.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.53 -19.49 48.64 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 662' ' ' LYS . 64.3 mt-10 . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 113.271 0.841 . . . . 25.0 113.271 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 39.9 t . . . . . 0 CA--C 1.537 0.449 0 N-CA-C 111.812 0.301 . . . . 25.0 111.812 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 97.1 mt -74.26 -37.15 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 113.22 0.822 . . . . 25.0 113.22 -172.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.16 -10.91 59.56 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.081 0.467 . . . . 25.0 112.037 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -104.19 -6.6 20.83 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.032 -0.985 . . . . 25.0 109.512 172.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 54.6 ttm -96.97 -30.87 12.84 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.224 -0.898 . . . . 25.0 110.068 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 541' ' ' ASP . . . . . 0.406 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 90.0 m-20 -89.5 -19.25 25.3 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.22 -0.9 . . . . 25.0 111.782 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -71.11 -26.78 63.18 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.5 0.191 . . . . 25.0 111.076 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.8 p -81.65 -25.69 35.4 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.141 -0.481 . . . . 25.0 111.274 176.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 544' ' ' ALA . . . . . 0.438 ' CB ' ' HE ' ' A' ' 624' ' ' ARG . . . -81.11 -27.65 35.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.329 177.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 545' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 87.1 mt -84.96 -17.9 36.26 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.915 -0.584 . . . . 25.0 111.105 173.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 7.5 mt -78.92 -29.45 44.18 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.668 -0.696 . . . . 25.0 110.702 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.9 p -76.1 -15.72 60.04 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.59 -0.732 . . . . 25.0 111.9 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -73.42 -11.52 60.5 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 112.474 0.546 . . . . 25.0 112.474 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.5 mt -102.54 -32.04 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.02 -0.536 . . . . 25.0 110.644 -177.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 76.5 p -94.17 -38.79 10.89 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.542 -0.299 . . . . 25.0 111.632 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 94.8 p . . . . . 0 C--O 1.248 1.014 0 CA-C-O 117.983 -1.008 . . . . 25.0 110.64 179.845 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.793 0 N-CA-C 115.065 0.786 . . . . 25.0 115.065 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 31.9 p-90 -68.98 -34.81 75.91 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 117.495 0.648 . . . . 25.0 112.579 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.87 -13.35 60.9 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.209 0.318 . . . . 25.0 111.408 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -82.55 -25.33 33.45 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -111.39 -25.02 9.85 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.938 0.718 . . . . 25.0 112.938 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 87.3 t -80.81 124.31 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 109.524 -0.547 . . . . 25.0 109.524 177.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 70.3 p -113.53 -174.76 2.53 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.303 -0.862 . . . . 25.0 111.59 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -71.04 -17.86 62.59 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.366 -0.834 . . . . 25.0 109.851 168.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -81.95 -38.47 25.15 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.735 -0.666 . . . . 25.0 112.069 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.87 -41.26 97.81 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.111 0.411 . . . . 25.0 112.111 175.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -63.9 -22.88 67.12 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 112.195 0.442 . . . . 25.0 112.195 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.8 p -84.34 -33.93 23.76 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.842 0.457 . . . . 25.0 111.969 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 55.9 m170 -77.36 -32.96 55.38 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.842 0.457 . . . . 25.0 111.237 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.409 HD12 ' OE2' ' A' ' 636' ' ' GLU . 61.1 mt -69.26 -25.05 64.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.376 0.671 . . . . 25.0 112.69 173.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 50.6 t -82.92 -27.22 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 123.773 0.829 . . . . 25.0 110.11 173.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.416 ' HA ' HG22 ' A' ' 608' ' ' VAL . 21.6 t-80 -81.41 -17.33 49.28 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.932 -0.576 . . . . 25.0 109.812 170.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -82.65 -19.94 37.24 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.51 -0.768 . . . . 25.0 109.434 174.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.721 HD23 ' HB1' ' A' ' 632' ' ' ALA . 0.1 OUTLIER -83.83 -47.75 10.78 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 114.267 -1.333 . . . . 25.0 110.752 -177.819 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 605' ' ' HIS . 34.7 m -66.34 -23.57 31.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.648 -0.706 . . . . 25.0 111.916 -176.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -80.84 -39.01 27.28 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 122.815 0.446 . . . . 25.0 110.943 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.42 63.45 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.52 -0.763 . . . . 25.0 111.91 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.54 HG12 HG21 ' A' ' 660' ' ' ILE . 96.6 mt -82.91 -44.23 18.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 N-CA-C 109.991 -0.374 . . . . 25.0 109.991 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.509 ' CD2' HD13 ' B' ' 545' ' ' LEU . 87.9 t80 -142.84 115.54 6.11 Favored Pre-proline 0 CA--C 1.547 0.858 0 O-C-N 123.207 0.317 . . . . 25.0 110.225 171.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.1 140.29 27.96 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 121.702 1.601 . . . . 25.0 112.347 174.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 37.7 p -112.1 114.79 50.94 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -63.0 -52.58 2.06 Favored 'Trans proline' 0 C--N 1.37 1.708 0 C-N-CA 123.326 2.684 . . . . 25.0 112.477 166.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -105.52 125.96 32.06 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 114.707 -1.133 . . . . 25.0 111.282 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -61.08 -10.56 15.45 Favored 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 123.134 2.556 . . . . 25.0 114.136 174.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.17 -8.35 56.84 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.72 -13.43 54.05 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.278 -0.419 . . . . 25.0 112.1 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 95.6 mt -82.27 -0.58 46.1 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.347 0.499 . . . . 25.0 112.347 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -106.1 14.76 27.3 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.959 0.409 . . . . 25.0 111.173 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . 0.449 ' OD2' ' HG3' ' B' ' 548' ' ' GLN . 47.4 t0 -87.26 158.61 19.05 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.857 -0.61 . . . . 25.0 111.085 -176.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 54.2 tpt85 -79.12 -39.07 34.55 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.559 -0.746 . . . . 25.0 110.709 -177.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -68.8 -19.66 64.3 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.747 -1.115 . . . . 25.0 111.738 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 57.8 tpp -81.11 -37.08 29.49 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.184 0.594 . . . . 25.0 110.535 177.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -61.51 -21.58 64.35 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.663 0.785 . . . . 25.0 112.405 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.44 -43.54 69.68 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.73 0.641 . . . . 25.0 112.73 -177.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 4.3 mt -86.43 -21.57 27.02 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 121.25 -0.18 . . . . 25.0 111.096 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.2 -33.01 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 166.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -76.89 -19.08 57.87 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 114.598 -1.183 . . . . 25.0 111.529 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . 0.4 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 86.8 t80 -75.85 -40.88 53.89 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.263 -0.426 . . . . 25.0 110.142 168.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.721 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -79.77 -28.64 40.36 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.31 -0.405 . . . . 25.0 111.754 -175.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -64.61 -25.63 68.04 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.863 0.465 . . . . 25.0 111.562 177.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -85.79 -34.44 21.12 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.191 -0.913 . . . . 25.0 112.064 -176.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.591 ' O ' ' HG3' ' A' ' 639' ' ' MET . 53.0 t -77.15 -38.22 27.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 N-CA-C 112.632 0.605 . . . . 25.0 112.632 -170.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.409 ' OE2' HD12 ' A' ' 603' ' ' LEU . 38.2 tp10 -63.44 -37.23 86.47 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.184 0.439 . . . . 25.0 112.184 176.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -81.75 -19.56 65.46 Favored Glycine 0 C--N 1.345 1.035 0 O-C-N 123.477 0.486 . . . . 25.0 113.411 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -84.48 -18.68 35.06 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.593 0.357 . . . . 25.0 111.08 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.591 ' HG3' ' O ' ' A' ' 635' ' ' VAL . 38.1 mtm -73.36 -26.78 61.16 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 -178.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -26.11 61.42 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.321 -0.4 . . . . 25.0 111.628 -175.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -88.62 -26.14 22.06 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.161 -0.472 . . . . 25.0 111.761 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 66.4 p -94.1 -34.0 13.14 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.187 0.439 . . . . 25.0 112.187 -176.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -96.22 143.63 27.15 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.412 0.285 . . . . 25.0 111.524 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -105.5 -16.75 14.63 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.903 -0.59 . . . . 25.0 111.683 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 91.6 p -132.27 161.73 32.75 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.072 -0.513 . . . . 25.0 110.557 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.499 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 1.7 ptm180 -74.83 -18.61 60.42 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.011 -0.54 . . . . 25.0 111.901 -176.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 95.5 m-20 -80.91 -26.88 36.46 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.171 0.294 . . . . 25.0 111.59 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -85.66 -44.89 12.2 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.364 0.415 . . . . 25.0 110.022 175.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . 0.465 ' O ' ' SD ' ' A' ' 639' ' ' MET . 80.7 t80 -52.14 -52.35 52.23 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.537 0.735 . . . . 25.0 111.489 176.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' A' ' 646' ' ' ARG . 23.1 m-85 -72.19 -16.32 61.96 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.001 0.741 . . . . 25.0 113.001 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 0.1 OUTLIER -84.34 -36.32 22.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 122.376 0.27 . . . . 25.0 111.01 178.844 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.32 -39.24 89.78 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.951 0.9 . . . . 25.0 112.514 176.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.59 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 6.3 tp -77.83 -29.87 50.78 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.879 -0.6 . . . . 25.0 112.411 177.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -81.73 -25.8 35.09 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -75.32 -32.91 61.08 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -67.96 -29.81 68.95 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.472 -0.566 . . . . 25.0 109.472 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 5.1 mt -71.48 -37.78 65.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-N 115.554 -0.748 . . . . 25.0 110.891 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -82.93 -27.37 30.64 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.93 0.395 . . . . 25.0 110.428 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -77.39 -33.44 55.09 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.324 -0.853 . . . . 25.0 112.199 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.54 HG21 HG12 ' A' ' 611' ' ' ILE . 77.7 mt -77.7 -30.12 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 109.958 -0.386 . . . . 25.0 109.958 177.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -63.2 -19.64 64.7 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.804 -0.634 . . . . 25.0 112.157 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -75.28 -43.62 50.19 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.175 0.435 . . . . 25.0 112.175 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -65.65 -34.19 77.64 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.168 0.587 . . . . 25.0 112.385 -175.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.55 -23.3 67.33 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.84 -0.618 . . . . 25.0 112.216 174.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 . . . . . 0 N--CA 1.47 0.535 0 C-N-CA 122.452 0.301 . . . . 25.0 111.809 175.203 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 79.0 p . . . . . 0 C--O 1.235 0.325 0 CA-C-O 120.591 0.234 . . . . 25.0 111.262 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 95.4 mt -87.06 -32.62 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.825 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.63 -11.27 59.17 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.771 0.656 . . . . 25.0 112.771 -177.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -97.6 -16.07 20.19 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.731 175.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 96.3 mmm -91.03 -26.64 19.09 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.312 -0.858 . . . . 25.0 110.743 173.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -89.13 -20.08 24.72 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.391 -0.822 . . . . 25.0 111.539 -178.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -75.53 -28.92 59.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.14 0.176 . . . . 25.0 111.379 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 76.3 p -81.74 -22.88 37.04 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.737 0.415 . . . . 25.0 111.855 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 544' ' ' ALA . . . . . 0.535 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.18 -22.5 30.93 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.351 -0.386 . . . . 25.0 112.01 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 545' ' ' LEU . . . . . 0.509 HD13 ' CD2' ' A' ' 612' ' ' PHE . 89.3 mt -83.54 -15.38 49.52 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.381 0.512 . . . . 25.0 112.381 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 84.4 mt -80.51 -32.66 36.85 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.874 0.369 . . . . 25.0 110.954 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.8 p -75.78 -16.41 60.11 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.417 -0.811 . . . . 25.0 111.984 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 89.4 mm-40 -81.71 -25.3 35.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.255 -0.43 . . . . 25.0 112.002 -178.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 43.9 pt -103.05 -20.26 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 115.37 -0.832 . . . . 25.0 112.216 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 91.6 p -94.21 -34.31 12.94 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.229 0.331 . . . . 25.0 111.411 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--O 1.249 1.036 0 CA-C-O 117.988 -1.006 . . . . 25.0 110.614 179.493 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.817 0 N-CA-C 113.972 0.349 . . . . 25.0 113.972 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 591' ' ' TRP . . . . . 0.429 ' O ' HG23 ' A' ' 595' ' ' VAL . 64.3 p-90 -68.11 -35.4 78.07 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.102 0.561 . . . . 25.0 112.482 -177.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -68.62 -33.94 74.9 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 122.803 0.441 . . . . 25.0 111.594 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -87.06 -12.35 47.54 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 122.854 0.462 . . . . 25.0 110.805 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -97.39 -26.85 14.72 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.525 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 591' ' ' TRP . 86.0 t -88.01 127.38 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.478 -0.564 . . . . 25.0 109.478 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 80.3 p -110.34 179.47 4.08 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.967 -177.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -69.29 -20.66 63.9 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.886 -1.052 . . . . 25.0 109.807 167.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -83.29 -32.76 26.19 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 116.005 -0.543 . . . . 25.0 111.943 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 1.4 mt -68.79 -44.37 73.74 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 111.818 0.303 . . . . 25.0 111.818 174.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -62.63 -22.98 66.83 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.9 p -84.42 -34.13 23.56 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 122.706 0.403 . . . . 25.0 111.719 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -77.6 -32.85 53.84 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.843 0.457 . . . . 25.0 111.124 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.476 HD11 ' HE2' ' A' ' 650' ' ' TYR . 61.0 mt -69.8 -25.86 63.99 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.803 0.668 . . . . 25.0 112.803 173.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 28.0 t -82.81 -23.94 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 123.468 0.707 . . . . 25.0 109.847 173.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -84.05 -17.73 39.36 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.845 -0.616 . . . . 25.0 109.704 169.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -82.06 -19.95 39.25 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.257 -0.883 . . . . 25.0 109.258 175.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.937 HD13 ' HB1' ' A' ' 632' ' ' ALA . 0.3 OUTLIER -85.91 -50.7 6.89 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 114.179 -1.373 . . . . 25.0 111.097 -176.383 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.28 -26.08 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-N 115.627 -0.715 . . . . 25.0 111.72 -176.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -82.21 -27.84 32.33 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.491 0.186 . . . . 25.0 111.349 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -80.32 -33.21 37.69 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.388 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.557 HG12 HG21 ' A' ' 660' ' ' ILE . 95.1 mt -78.15 -47.91 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 116.076 -0.511 . . . . 25.0 110.09 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.449 ' CD2' HD13 ' B' ' 545' ' ' LEU . 86.4 t80 -143.85 111.13 5.24 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 122.574 0.35 . . . . 25.0 110.108 172.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.81 137.9 60.78 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.364 2.043 . . . . 25.0 112.267 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 60.6 p -98.62 114.41 65.32 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 112.821 0.674 . . . . 25.0 112.821 -175.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -68.7 -50.53 0.61 Allowed 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 123.157 2.571 . . . . 25.0 112.069 166.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -105.26 129.95 23.91 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 114.81 -1.086 . . . . 25.0 111.759 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.04 -16.4 44.89 Favored 'Trans proline' 0 C--N 1.367 1.501 0 C-N-CA 123.552 2.835 . . . . 25.0 114.007 176.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -85.76 -12.78 50.16 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.39 -9.12 46.14 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.456 0.539 . . . . 25.0 112.456 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 51.9 mt -82.33 -5.71 58.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 122.805 0.442 . . . . 25.0 112.162 -176.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.61 14.58 31.58 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.145 0.498 . . . . 25.0 110.391 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -86.63 153.37 21.82 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.812 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -75.49 -47.9 25.0 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.272 -0.876 . . . . 25.0 111.647 -177.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -65.04 -21.1 66.78 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.01 0.524 . . . . 25.0 112.381 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 27.5 tpp -77.44 -41.67 38.85 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 122.821 0.449 . . . . 25.0 110.531 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.96 -19.68 65.95 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -65.86 -40.92 92.14 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 122.887 0.475 . . . . 25.0 111.763 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 88.2 mt -86.53 -22.99 26.04 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 122.961 0.163 . . . . 25.0 110.858 177.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' A' ' 633' ' ' LYS . 6.0 t -54.79 -39.83 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 108.913 -0.773 . . . . 25.0 108.913 168.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -70.0 -19.19 63.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 114.548 -1.205 . . . . 25.0 111.682 176.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 11.0 t80 -76.65 -39.21 52.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.23 -0.441 . . . . 25.0 110.002 168.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.937 ' HB1' HD13 ' A' ' 607' ' ' LEU . . . -78.35 -31.18 48.44 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.286 -0.416 . . . . 25.0 112.05 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 629' ' ' VAL . 93.7 mttt -66.02 -24.07 66.68 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.007 0.432 . . . . 25.0 110.923 177.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -85.39 -35.24 21.47 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.205 -0.907 . . . . 25.0 112.048 -175.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.537 ' O ' ' HG3' ' A' ' 639' ' ' MET . 35.2 m -75.11 -21.94 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 112.802 0.667 . . . . 25.0 112.802 -172.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -70.7 -31.1 67.86 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.325 0.25 . . . . 25.0 111.288 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . 0.628 ' HA2' ' HD1' ' A' ' 640' ' ' TYR . . . -84.44 -34.35 16.99 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 116.111 -0.495 . . . . 25.0 113.884 -175.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -72.69 -19.18 61.46 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.897 0.38 . . . . 25.0 111.345 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.799 ' HE1' HD22 ' A' ' 653' ' ' LEU . 15.4 mtm -75.26 -23.1 57.43 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.521 -0.763 . . . . 25.0 112.118 176.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.628 ' HD1' ' HA2' ' A' ' 637' ' ' GLY . 29.4 m-85 -74.96 -29.44 60.92 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.985 -0.552 . . . . 25.0 111.747 -176.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -88.47 -22.05 23.88 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.154 -0.475 . . . . 25.0 111.832 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 78.4 p -96.18 -38.18 10.25 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.331 -0.395 . . . . 25.0 112.01 -176.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -91.33 147.13 23.26 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.722 0.296 . . . . 25.0 111.681 -177.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -118.01 -15.93 9.89 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.742 -0.663 . . . . 25.0 111.097 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 88.5 p -131.82 -178.79 5.04 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.761 -0.2 . . . . 25.0 111.343 -176.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -79.45 -32.98 42.79 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.306 0.484 . . . . 25.0 112.306 -178.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -80.5 -22.12 41.27 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.108 0.411 . . . . 25.0 112.108 -174.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -86.58 -45.95 10.57 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.999 -0.371 . . . . 25.0 109.999 177.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -55.28 -52.94 61.81 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.358 0.663 . . . . 25.0 111.72 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.476 ' HE2' HD11 ' A' ' 603' ' ' LEU . 11.0 m-85 -71.27 -19.78 62.3 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.062 0.764 . . . . 25.0 113.062 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -84.88 -34.07 22.67 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.441 0.162 . . . . 25.0 111.272 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.67 -40.91 98.0 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.369 0.667 . . . . 25.0 112.288 174.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.799 HD22 ' HE1' ' A' ' 639' ' ' MET . 1.2 tp -73.64 -25.56 60.35 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.866 -0.606 . . . . 25.0 112.449 174.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -84.12 -27.16 28.37 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.107 0.41 . . . . 25.0 112.107 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -74.62 -31.79 62.1 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -68.02 -29.83 68.93 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.114 -0.699 . . . . 25.0 109.114 171.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 27.6 mt -69.84 -31.0 46.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 114.9 -1.045 . . . . 25.0 110.777 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -85.39 -33.52 21.96 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.472 -0.331 . . . . 25.0 111.165 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.25 -37.4 69.12 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.108 0.41 . . . . 25.0 112.108 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.557 HG21 HG12 ' A' ' 611' ' ' ILE . 81.8 mt -69.69 -30.56 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 123.439 0.462 . . . . 25.0 109.974 177.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -70.63 -19.93 62.77 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.405 -0.816 . . . . 25.0 111.999 173.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -80.46 -38.03 30.78 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.854 0.462 . . . . 25.0 111.822 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.83 -44.95 79.79 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.689 0.796 . . . . 25.0 111.802 -176.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 76.0 mt -69.98 -19.51 63.35 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.989 -0.551 . . . . 25.0 112.212 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.543 0.703 0 C-N-CA 122.74 0.416 . . . . 25.0 111.061 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.465 0.304 0 CA-C-O 120.899 0.38 . . . . 25.0 110.69 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 95.4 mt -87.19 -32.32 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 115.29 -0.868 . . . . 25.0 111.272 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.77 -11.91 58.8 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.24 0.83 . . . . 25.0 113.24 -174.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -100.99 -11.16 19.91 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.576 -0.738 . . . . 25.0 109.726 175.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 93.3 mmm -93.29 -27.89 16.54 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.254 -0.885 . . . . 25.0 110.761 172.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -90.77 -19.67 23.24 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.624 -0.716 . . . . 25.0 111.68 -177.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -72.49 -29.27 63.49 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.541 0.21 . . . . 25.0 110.882 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.8 p -81.91 -23.31 36.31 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.945 -0.571 . . . . 25.0 111.209 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -80.13 -31.2 39.1 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.243 -0.435 . . . . 25.0 111.564 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 545' ' ' LEU . . . . . 0.449 HD13 ' CD2' ' A' ' 612' ' ' PHE . 96.7 mt -82.41 -18.09 43.15 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.008 -0.542 . . . . 25.0 111.276 175.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 16.5 mt -87.1 -28.64 22.39 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.604 -0.726 . . . . 25.0 110.924 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.5 p -76.37 -20.84 56.78 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.95 -0.568 . . . . 25.0 112.262 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -91.27 -13.83 31.99 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.767 0.655 . . . . 25.0 112.767 -176.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 38.5 mt -104.89 -29.93 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 96.8 p -105.13 -41.52 5.54 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.216 0.323 . . . . 25.0 111.484 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 44.8 m . . . . . 0 N--CA 1.483 1.218 0 C-N-CA 123.943 0.897 . . . . 25.0 112.179 -179.338 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 114.176 0.43 . . . . 25.0 114.176 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 60.2 p-90 -70.19 -33.3 71.55 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.002 0.521 . . . . 25.0 112.361 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -62.99 -36.68 84.35 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.305 0.642 . . . . 25.0 112.207 -177.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -91.05 -4.97 55.91 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 122.824 0.45 . . . . 25.0 110.937 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -104.97 -26.14 12.29 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.934 -0.576 . . . . 25.0 111.728 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.448 HG13 HD23 ' A' ' 599' ' ' LEU . 39.6 t -78.43 129.66 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 120.925 0.393 . . . . 25.0 110.317 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 66.6 p -111.27 -175.88 2.81 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.336 -0.847 . . . . 25.0 111.565 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -77.66 -17.36 57.79 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.758 168.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -77.69 -30.68 52.01 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 115.77 -0.65 . . . . 25.0 111.635 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.448 HD23 HG13 ' A' ' 595' ' ' VAL . 55.7 tp -63.95 -44.92 91.36 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 112.248 0.462 . . . . 25.0 112.248 174.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.404 ' O ' ' OE1' ' A' ' 636' ' ' GLU . 99.8 mtt180 -64.74 -25.73 68.06 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 111.951 0.352 . . . . 25.0 111.951 -177.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 69.9 p -84.63 -31.11 24.4 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.141 -0.481 . . . . 25.0 111.507 177.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -80.61 -19.98 44.25 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.92 0.488 . . . . 25.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.624 ' HA ' ' HB2' ' A' ' 606' ' ' LYS . 52.3 mt -83.32 -36.54 24.34 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.916 -0.583 . . . . 25.0 110.908 177.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.544 HG23 ' OE1' ' A' ' 636' ' ' GLU . 2.8 t -68.2 -30.78 49.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 124.109 0.964 . . . . 25.0 110.35 169.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -80.06 -17.34 52.98 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.849 -0.614 . . . . 25.0 110.053 173.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.624 ' HB2' ' HA ' ' A' ' 603' ' ' LEU . 20.2 mttt -82.78 -21.8 34.48 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.376 -0.829 . . . . 25.0 109.346 173.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 1.068 HD13 ' HB1' ' A' ' 632' ' ' ALA . 0.3 OUTLIER -86.35 -54.46 4.42 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.417 -1.265 . . . . 25.0 111.645 -176.124 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.33 -30.34 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.147 0.579 . . . . 25.0 111.913 -174.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -79.13 -34.11 43.66 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.979 0.419 . . . . 25.0 110.684 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -73.24 -36.13 66.37 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.037 -0.983 . . . . 25.0 111.802 177.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.425 HG12 HD13 ' A' ' 660' ' ' ILE . 84.4 mt -78.29 -52.38 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.032 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.721 ' CD2' HD13 ' B' ' 545' ' ' LEU . 89.9 t80 -138.6 105.82 7.65 Favored Pre-proline 0 CA--C 1.548 0.901 0 O-C-N 123.121 0.263 . . . . 25.0 110.329 172.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -68.12 135.31 34.24 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.336 2.024 . . . . 25.0 112.16 173.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 60.7 p -102.03 113.55 65.82 Favored Pre-proline 0 CA--C 1.536 0.42 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -63.94 -49.79 3.64 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 123.254 2.636 . . . . 25.0 112.361 168.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.405 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 46.2 t0 -106.85 121.7 44.07 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 114.907 -1.042 . . . . 25.0 111.073 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 55.5 Cg_endo -61.47 -10.4 16.09 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 123.068 2.512 . . . . 25.0 114.318 176.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -78.25 -8.25 58.13 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.507 0.558 . . . . 25.0 112.507 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -85.15 -9.08 58.27 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.263 0.468 . . . . 25.0 112.263 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 59.3 mt -82.2 1.7 35.19 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -175.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.42 14.43 30.12 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 121.076 0.465 . . . . 25.0 110.532 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -90.48 154.47 19.62 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.781 -0.645 . . . . 25.0 110.72 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -79.55 -33.94 41.43 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.8 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.455 ' HD3' ' HB1' ' B' ' 544' ' ' ALA . 91.4 mtt-85 -70.67 -20.05 62.73 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 114.672 -1.149 . . . . 25.0 111.68 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 53.2 tpp -82.38 -37.95 24.87 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 122.92 0.488 . . . . 25.0 110.382 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.2 -21.17 66.04 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.578 0.751 . . . . 25.0 111.983 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -69.17 -43.08 74.97 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 112.458 0.54 . . . . 25.0 112.458 -176.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.547 HD23 ' CD2' ' A' ' 631' ' ' TYR . 0.5 OUTLIER -86.36 -21.95 26.93 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.476 0.179 . . . . 25.0 111.184 179.597 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 16.6 t -55.86 -32.32 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 N-CA-C 109.349 -0.612 . . . . 25.0 109.349 167.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -81.36 -19.01 43.62 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.573 -1.194 . . . . 25.0 111.467 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . 0.547 ' CD2' HD23 ' A' ' 628' ' ' LEU . 20.3 m-30 -77.56 -38.38 48.66 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.024 -0.534 . . . . 25.0 110.502 171.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 1.068 ' HB1' HD13 ' A' ' 607' ' ' LEU . . . -80.12 -40.68 26.96 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.024 -0.535 . . . . 25.0 111.476 -176.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -53.16 -25.35 13.27 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -173.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.439 ' HE3' ' OD1' ' A' ' 638' ' ' ASP . 55.1 tptt -85.56 -35.57 20.99 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.955 0.502 . . . . 25.0 111.91 -177.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.644 ' O ' ' HG3' ' A' ' 639' ' ' MET . 9.7 m -71.21 -21.65 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 N-CA-C 113.455 0.909 . . . . 25.0 113.455 -163.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.544 ' OE1' HG23 ' A' ' 604' ' ' VAL . 4.1 pt-20 -68.76 -41.52 78.76 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 122.637 0.375 . . . . 25.0 111.378 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -78.72 -21.72 68.26 Favored Glycine 0 C--N 1.347 1.174 0 CA-C-N 115.928 -0.578 . . . . 25.0 113.773 -176.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . 0.439 ' OD1' ' HE3' ' A' ' 634' ' ' LYS . 94.8 m-20 -78.6 -18.94 53.79 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 122.439 0.295 . . . . 25.0 111.302 176.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.644 ' HG3' ' O ' ' A' ' 635' ' ' VAL . 27.8 mtm -76.69 -20.74 56.28 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.243 -0.435 . . . . 25.0 111.501 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.566 ' CD2' ' C ' ' A' ' 640' ' ' TYR . 0.5 OUTLIER -73.43 -31.3 63.76 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.749 -0.66 . . . . 25.0 111.585 -176.762 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -88.52 -21.49 24.11 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.102 -0.499 . . . . 25.0 111.999 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 67.2 p -96.02 -36.19 11.12 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.257 0.466 . . . . 25.0 112.257 -176.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.6 142.36 27.9 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -178.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -107.52 -20.68 13.17 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.672 -0.695 . . . . 25.0 110.752 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.2 p -131.68 156.12 46.44 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.007 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -74.26 -18.61 60.7 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.069 -0.514 . . . . 25.0 112.175 -173.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -81.21 -23.09 38.36 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.212 0.32 . . . . 25.0 110.645 175.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -86.55 -43.09 12.98 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.096 -0.502 . . . . 25.0 109.817 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -50.34 -57.77 7.18 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.985 0.914 . . . . 25.0 111.599 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.423 ' HE2' HD11 ' A' ' 599' ' ' LEU . 24.3 m-85 -63.33 -15.18 56.54 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.06 0.763 . . . . 25.0 113.06 177.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -22.94 33.46 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.411 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 86.8 mt -70.93 -45.42 64.24 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 177.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 603' ' ' LEU . 0.3 OUTLIER -68.42 -30.03 68.83 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 112.023 0.379 . . . . 25.0 112.023 177.478 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -78.68 -29.74 45.77 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.461 0.541 . . . . 25.0 112.461 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -76.96 -30.25 55.92 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.241 0.46 . . . . 25.0 112.241 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -71.57 -27.46 63.17 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.032 -0.729 . . . . 25.0 109.032 171.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 12.1 mt -72.22 -29.81 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 114.864 -1.062 . . . . 25.0 110.904 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -80.84 -36.78 31.04 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 123.074 0.234 . . . . 25.0 110.685 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -69.93 -34.72 73.84 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.891 0.476 . . . . 25.0 112.139 -178.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.425 HD13 HG12 ' A' ' 611' ' ' ILE . 69.4 mt -78.16 -35.32 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-N 116.132 -0.486 . . . . 25.0 110.159 178.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -69.96 -22.84 63.13 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.997 -0.547 . . . . 25.0 112.237 175.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -71.55 -28.81 64.11 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.9 -43.77 24.15 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 123.248 0.619 . . . . 25.0 111.166 -178.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.86 -19.65 64.25 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.789 0.663 . . . . 25.0 112.789 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 N--CA 1.475 0.786 0 C-N-CA 122.429 0.292 . . . . 25.0 111.665 176.411 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 112.311 0.486 . . . . 25.0 112.311 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 66.5 mt -86.85 -33.68 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 123.204 0.315 . . . . 25.0 111.602 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.2 -11.46 59.41 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.604 0.594 . . . . 25.0 112.604 -176.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -102.24 -6.03 23.63 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.341 -0.845 . . . . 25.0 109.647 173.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 56.0 ttm -95.92 -36.17 11.18 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.134 -0.939 . . . . 25.0 109.608 175.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -84.01 -24.06 30.69 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.52 -0.764 . . . . 25.0 112.626 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -68.03 -26.49 65.9 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 120.64 0.257 . . . . 25.0 111.093 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.7 p -82.13 -24.75 34.92 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.835 -0.621 . . . . 25.0 111.324 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 544' ' ' ALA . . . . . 0.455 ' HB1' ' HD3' ' A' ' 624' ' ' ARG . . . -84.32 -22.77 30.52 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.243 -0.435 . . . . 25.0 112.07 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 545' ' ' LEU . . . . . 0.721 HD13 ' CD2' ' A' ' 612' ' ' PHE . 94.0 mt -77.5 -25.94 50.78 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.242 0.46 . . . . 25.0 112.242 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.52 -29.05 21.62 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.403 -0.362 . . . . 25.0 111.185 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.6 p -75.39 -17.01 60.31 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.514 -0.766 . . . . 25.0 112.796 -178.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -88.82 -11.2 45.5 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.0 mt -102.75 -31.75 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 116.021 -0.536 . . . . 25.0 110.459 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 67.1 p -95.36 -37.25 11.04 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.29 0.369 . . . . 25.0 111.493 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.737 -0.649 . . . . 25.0 110.887 -179.828 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.776 0 N-CA-C 115.15 0.82 . . . . 25.0 115.15 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -68.04 -38.04 82.06 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.578 0.584 . . . . 25.0 112.578 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -72.85 -13.05 61.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 122.325 0.25 . . . . 25.0 111.397 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -82.63 -22.28 34.76 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.99 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -115.76 -22.12 9.29 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.04 0.755 . . . . 25.0 113.04 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.514 HG13 HD23 ' A' ' 599' ' ' LEU . 77.3 t -81.81 126.36 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 120.961 0.41 . . . . 25.0 110.4 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 48.1 p -112.31 -174.31 2.43 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.128 -0.942 . . . . 25.0 111.351 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -72.54 -18.62 61.62 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.59 -0.732 . . . . 25.0 109.865 169.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -82.0 -33.45 30.11 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 115.756 -0.656 . . . . 25.0 111.484 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.514 HD23 HG13 ' A' ' 595' ' ' VAL . 32.5 tp -64.36 -48.14 76.65 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 117.673 0.215 . . . . 25.0 111.189 173.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.492 ' HG2' ' OE2' ' A' ' 636' ' ' GLU . 81.6 mtp180 -55.0 -28.3 50.98 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.02 0.528 . . . . 25.0 111.978 -176.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.8 p -82.17 -31.56 30.4 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.462 -0.79 . . . . 25.0 111.566 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -81.09 -27.13 35.75 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.69 0.396 . . . . 25.0 110.673 177.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 21.9 mt -67.01 -31.89 72.73 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.837 0.855 . . . . 25.0 110.569 172.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 28.0 t -83.48 -32.34 9.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 114.945 -1.025 . . . . 25.0 110.917 176.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.465 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 80.4 t60 -76.28 -16.8 59.71 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.231 0.332 . . . . 25.0 110.694 176.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -85.11 -26.2 27.05 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 122.135 0.969 . . . . 25.0 108.656 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.632 HD23 ' HB1' ' A' ' 632' ' ' ALA . 47.3 tp -87.18 -40.56 14.48 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 113.066 -1.879 . . . . 25.0 111.509 -176.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 77.7 t -76.66 -23.94 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.178 0.591 . . . . 25.0 111.322 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 97.0 mm-40 -80.27 -27.52 38.58 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.761 0.315 . . . . 25.0 110.939 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -74.67 -30.78 61.71 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.591 -0.731 . . . . 25.0 111.371 175.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.561 HG12 HG21 ' A' ' 660' ' ' ILE . 75.9 mt -83.19 -53.95 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-N 116.09 -0.505 . . . . 25.0 109.691 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.402 ' HE2' ' HB ' ' A' ' 614' ' ' THR . 25.0 t80 -139.54 104.37 7.05 Favored Pre-proline 0 CA--C 1.548 0.878 0 O-C-N 123.086 0.241 . . . . 25.0 110.568 171.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.53 131.5 9.46 Favored 'Trans proline' 0 C--N 1.373 1.868 0 C-N-CA 122.479 2.12 . . . . 25.0 112.825 175.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.402 ' HB ' ' HE2' ' A' ' 612' ' ' PHE . 7.9 t -151.04 126.87 4.97 Favored Pre-proline 0 CA--C 1.545 0.773 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -53.18 -50.13 15.09 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 123.798 2.999 . . . . 25.0 113.981 170.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 49.4 t0 -71.14 116.07 42.99 Favored Pre-proline 0 N--CA 1.473 0.694 0 CA-C-N 115.453 -0.794 . . . . 25.0 112.288 -177.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 58.4 Cg_endo -67.25 -10.54 29.0 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.719 2.28 . . . . 25.0 113.791 173.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -74.31 -10.14 59.29 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.753 0.649 . . . . 25.0 112.753 -176.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.18 -14.98 52.32 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 122.517 0.327 . . . . 25.0 111.68 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 72.4 mt -87.31 -0.27 56.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.875 -0.602 . . . . 25.0 112.012 -177.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -106.18 14.32 27.77 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.104 0.478 . . . . 25.0 110.595 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -87.66 159.82 18.37 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.805 -0.634 . . . . 25.0 110.898 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -73.26 -50.82 20.2 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.824 -0.625 . . . . 25.0 111.323 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -57.92 -30.63 66.08 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.453 0.701 . . . . 25.0 112.591 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.651 ' N ' HD21 ' B' ' 545' ' ' LEU . 50.5 tpp -81.46 -36.25 29.59 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.065 -0.516 . . . . 25.0 111.597 -177.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.78 -21.38 63.01 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -76.72 -25.2 53.28 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 120.718 0.294 . . . . 25.0 111.361 175.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 631' ' ' TYR . 79.5 mt -86.04 -42.15 14.21 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.834 -0.621 . . . . 25.0 109.877 175.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.64 -34.28 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 123.311 0.644 . . . . 25.0 110.654 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -79.07 -18.78 52.82 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.505 -0.77 . . . . 25.0 111.485 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 628' ' ' LEU . 17.3 m-30 -76.04 -37.2 58.61 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.931 -0.577 . . . . 25.0 110.742 172.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.632 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -83.55 -36.35 24.07 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.232 -0.44 . . . . 25.0 111.593 -178.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -67.51 -20.01 65.39 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.207 0.603 . . . . 25.0 111.228 177.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -85.85 -36.28 20.1 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.367 -0.833 . . . . 25.0 111.74 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.46 HG11 ' HD2' ' A' ' 656' ' ' LYS . 18.5 t -73.05 -45.05 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 112.681 0.622 . . . . 25.0 112.681 -172.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.492 ' OE2' ' HG2' ' A' ' 600' ' ' ARG . 13.8 tm-20 -57.08 -29.57 63.59 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.423 0.689 . . . . 25.0 111.953 -177.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.89 -25.05 75.71 Favored Glycine 0 C--N 1.347 1.19 0 O-C-N 123.205 0.316 . . . . 25.0 113.472 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -84.85 -19.08 32.95 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.717 0.407 . . . . 25.0 111.099 176.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.644 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 3.9 mtm -71.57 -35.87 70.73 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.145 -0.48 . . . . 25.0 112.104 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.422 ' CE2' ' HG3' ' A' ' 641' ' ' GLU . 0.0 OUTLIER -75.69 -24.56 56.27 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.126 -0.488 . . . . 25.0 110.735 178.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.422 ' HG3' ' CE2' ' A' ' 640' ' ' TYR . 75.0 mt-10 -88.64 -26.48 21.86 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.948 0.899 . . . . 25.0 111.086 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 85.7 p -96.45 -41.38 8.62 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.091 0.404 . . . . 25.0 112.091 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.41 140.83 29.13 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.678 0.275 . . . . 25.0 111.722 -176.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -109.77 -6.38 15.29 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.767 -0.651 . . . . 25.0 111.017 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 74.9 m -131.56 157.61 43.16 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.863 0.363 . . . . 25.0 110.585 -175.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -72.06 -29.81 64.5 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.542 -0.754 . . . . 25.0 111.909 -176.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.53 -23.52 37.2 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.236 0.335 . . . . 25.0 111.301 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -86.35 -39.89 15.99 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 122.594 0.358 . . . . 25.0 110.184 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -57.01 -51.03 70.88 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.236 0.614 . . . . 25.0 111.339 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -75.52 -16.02 60.33 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.386 0.884 . . . . 25.0 113.386 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -81.64 -46.81 13.84 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.074 0.15 . . . . 25.0 111.385 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 78.9 mt -51.73 -39.56 58.67 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.67 0.788 . . . . 25.0 112.901 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.644 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -72.59 -38.66 67.8 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.948 -0.569 . . . . 25.0 111.773 176.113 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.72 -24.96 64.53 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.333 -0.394 . . . . 25.0 111.23 175.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -74.38 -40.88 61.8 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.679 -0.691 . . . . 25.0 111.578 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.46 ' HD2' HG11 ' A' ' 635' ' ' VAL . 24.2 mttp -68.46 -24.95 64.76 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.777 -0.453 . . . . 25.0 109.777 174.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 5.2 mt -70.57 -31.99 48.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.477 -0.783 . . . . 25.0 110.224 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -85.34 -33.28 22.08 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.988 -0.551 . . . . 25.0 111.256 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -74.57 -33.06 62.59 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 -176.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.561 HG21 HG12 ' A' ' 611' ' ' ILE . 97.3 mt -76.04 -28.66 18.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.012 0.435 . . . . 25.0 109.841 176.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -69.38 -19.92 63.83 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.533 -0.758 . . . . 25.0 112.114 172.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -75.65 -40.23 56.48 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.648 0.379 . . . . 25.0 111.918 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -71.24 -43.05 68.04 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.915 0.486 . . . . 25.0 112.168 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.25 -19.24 64.38 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 112.488 0.551 . . . . 25.0 112.488 171.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 CA--C 1.54 0.578 0 C-N-CA 122.445 0.298 . . . . 25.0 110.655 178.906 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 N--CA 1.464 0.252 0 N-CA-C 111.746 0.276 . . . . 25.0 111.746 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 48.8 mm -86.65 -32.55 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 123.232 0.333 . . . . 25.0 111.251 -179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 538' ' ' ALA . . . . . 0.561 ' O ' ' HB2' ' B' ' 542' ' ' PHE . . . -81.28 -11.21 59.42 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 -171.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -106.42 -3.44 21.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.935 -0.575 . . . . 25.0 109.95 174.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 82.8 mtp -102.78 -29.43 11.48 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.189 -0.914 . . . . 25.0 110.682 173.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 541' ' ' ASP . . . . . 0.468 ' HB3' HD12 ' B' ' 545' ' ' LEU . 0.6 OUTLIER -95.55 -19.77 19.53 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.538 -0.755 . . . . 25.0 111.298 -177.248 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 542' ' ' PHE . . . . . 0.561 ' HB2' ' O ' ' B' ' 538' ' ' ALA . 50.4 t80 -69.65 -17.73 63.52 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 111.861 0.319 . . . . 25.0 111.861 -176.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 91.4 p -81.23 -40.0 24.48 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.417 0.448 . . . . 25.0 112.148 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.82 -21.96 29.66 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.364 -0.38 . . . . 25.0 111.329 176.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 545' ' ' LEU . . . . . 0.651 HD21 ' N ' ' A' ' 625' ' ' MET . 33.5 mt -85.49 -24.98 27.13 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.436 -0.802 . . . . 25.0 112.23 -176.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 66.5 tp -87.65 -18.22 30.09 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 117.924 0.329 . . . . 25.0 111.461 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.8 p -75.6 -16.13 60.27 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.039 0.535 . . . . 25.0 112.097 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -76.64 -11.29 59.83 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 43.1 mm -95.54 -31.94 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.603 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 76.4 p -93.6 -37.86 11.65 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.273 0.358 . . . . 25.0 111.56 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 39.0 m . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.748 -0.644 . . . . 25.0 110.893 179.703 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 112.501 -0.24 . . . . 25.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 95.2 t -90.4 135.42 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 122.479 0.312 . . . . 25.0 110.16 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -91.04 133.6 35.18 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.791 -0.64 . . . . 25.0 111.452 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.556 ' HD2' ' O ' ' A' ' 644' ' ' ASN . 52.2 mttt -109.66 -174.02 2.4 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.744 -0.662 . . . . 25.0 111.099 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -59.88 -38.53 94.21 Favored Glycine 0 C--N 1.347 1.174 0 N-CA-C 114.404 0.522 . . . . 25.0 114.404 -176.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 55.9 p-90 -58.76 -36.46 74.42 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.317 0.647 . . . . 25.0 112.702 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -65.13 -39.23 92.74 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.033 0.533 . . . . 25.0 111.936 -175.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -90.82 -3.32 57.48 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.296 0.372 . . . . 25.0 111.583 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -103.52 -26.03 12.99 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.921 -0.581 . . . . 25.0 111.548 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.565 ' HA ' HD12 ' A' ' 599' ' ' LEU . 18.0 t -79.97 127.45 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 N-CA-C 110.058 -0.349 . . . . 25.0 110.058 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.411 ' H ' HD12 ' A' ' 599' ' ' LEU . 42.8 p -108.35 179.81 4.1 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.522 -0.763 . . . . 25.0 111.341 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.04 -18.16 56.18 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.738 -0.665 . . . . 25.0 110.286 170.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . 0.455 ' O ' ' HD2' ' A' ' 602' ' ' HIS . 73.5 m-20 -85.11 -28.22 25.73 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.927 -0.579 . . . . 25.0 111.074 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 595' ' ' VAL . 25.2 mt -69.11 -49.03 60.77 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 122.9 0.125 . . . . 25.0 111.069 173.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 604' ' ' VAL . 99.6 mtt180 -57.0 -21.84 33.83 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 -176.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 83.8 p -84.25 -32.58 24.37 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.16 -0.473 . . . . 25.0 111.293 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . 0.455 ' HD2' ' O ' ' A' ' 598' ' ' ASP . 90.6 m-70 -82.38 -20.31 37.42 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.828 0.451 . . . . 25.0 110.957 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.522 HD21 ' CE2' ' A' ' 650' ' ' TYR . 13.0 mt -74.44 -32.91 62.79 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.821 0.848 . . . . 25.0 110.378 176.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 600' ' ' ARG . 96.7 t -83.02 -32.74 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-N 114.857 -1.065 . . . . 25.0 110.299 176.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -74.67 -16.96 60.75 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.143 -0.48 . . . . 25.0 110.236 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -83.83 -24.77 30.8 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.369 -0.832 . . . . 25.0 109.042 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.409 HD11 ' CD1' ' A' ' 653' ' ' LEU . 2.4 mt -86.69 -39.71 15.78 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.164 -1.38 . . . . 25.0 111.642 -177.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 3.6 p -73.4 -24.3 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 122.99 0.516 . . . . 25.0 111.42 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -81.8 -26.91 33.99 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.613 0.244 . . . . 25.0 111.557 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -80.62 -34.23 35.24 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.892 -0.595 . . . . 25.0 111.585 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.52 HG12 HG21 ' A' ' 660' ' ' ILE . 95.2 mt -77.17 -48.99 23.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 116.245 -0.434 . . . . 25.0 109.929 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.425 ' CD2' HD13 ' B' ' 545' ' ' LEU . 67.3 t80 -141.74 114.42 6.6 Favored Pre-proline 0 CA--C 1.547 0.833 0 O-C-N 123.241 0.338 . . . . 25.0 110.277 172.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . 0.475 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 51.8 Cg_exo -63.61 141.13 78.54 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 122.383 2.055 . . . . 25.0 112.241 173.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 616' ' ' ASP . 27.1 m -90.04 113.24 56.45 Favored Pre-proline 0 C--O 1.237 0.418 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 84.6 Cg_exo -62.61 -52.98 2.0 Allowed 'Trans proline' 0 C--N 1.368 1.567 0 C-N-CA 123.489 2.793 . . . . 25.0 112.588 168.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.461 ' OD1' ' HD2' ' A' ' 617' ' ' PRO . 7.6 t70 -126.27 142.33 42.46 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 114.929 -1.032 . . . . 25.0 111.045 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.461 ' HD2' ' OD1' ' A' ' 616' ' ' ASP . 42.4 Cg_exo -57.58 -12.77 12.0 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 123.883 3.055 . . . . 25.0 113.986 174.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -82.88 -19.61 37.1 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -66.0 -18.47 65.36 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.471 0.545 . . . . 25.0 112.471 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 95.7 mt -79.19 -12.17 59.97 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.244 0.461 . . . . 25.0 112.244 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -106.04 14.71 27.46 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.058 0.456 . . . . 25.0 110.435 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -86.4 163.2 17.75 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.817 -0.629 . . . . 25.0 110.905 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.16 -52.81 9.32 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 122.737 0.415 . . . . 25.0 111.586 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 16.4 mmm-85 -61.06 -30.18 70.17 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 61.6 tpp -72.81 -40.31 65.96 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.489 0.316 . . . . 25.0 110.853 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . 0.436 ' HA ' ' HB ' ' A' ' 629' ' ' VAL . 38.8 tt0 -64.47 -20.12 65.99 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.919 0.711 . . . . 25.0 112.919 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -68.72 -41.87 78.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 93.2 mt -86.29 -21.77 27.14 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.566 0.222 . . . . 25.0 110.722 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.531 HG12 ' HD2' ' A' ' 633' ' ' LYS . 2.2 t -55.26 -32.77 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 109.383 -0.599 . . . . 25.0 109.383 167.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -77.98 -18.93 55.38 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 114.508 -1.224 . . . . 25.0 111.522 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 42.3 t80 -75.91 -42.68 48.21 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.086 -0.506 . . . . 25.0 110.154 169.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.1 -23.83 30.59 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.411 0.444 . . . . 25.0 112.048 -174.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.531 ' HD2' HG12 ' A' ' 629' ' ' VAL . 32.0 mttt -67.78 -24.6 65.34 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.093 0.473 . . . . 25.0 111.284 174.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -85.87 -36.55 19.89 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.001 -1.0 . . . . 25.0 112.217 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.81 -35.73 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -168.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.411 ' HA ' ' SD ' ' A' ' 639' ' ' MET . 9.2 tm-20 -51.71 -38.31 54.61 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.884 0.473 . . . . 25.0 112.199 -177.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.36 -19.64 77.69 Favored Glycine 0 C--N 1.347 1.174 0 CA-C-N 116.002 -0.544 . . . . 25.0 113.569 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -82.35 -19.37 39.41 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.53 0.332 . . . . 25.0 110.495 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.435 ' HG2' ' HB2' ' A' ' 652' ' ' LEU . 2.7 mtp -82.77 -22.93 34.14 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.278 -0.419 . . . . 25.0 111.351 175.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -77.22 -31.74 55.38 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.964 -0.562 . . . . 25.0 111.273 -176.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -89.06 -26.03 21.62 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.995 -0.548 . . . . 25.0 111.864 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 91.2 p -95.31 -39.67 9.93 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.664 0.616 . . . . 25.0 112.664 -173.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.35 145.95 24.56 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 111.847 0.314 . . . . 25.0 111.847 -176.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.556 ' O ' ' HD2' ' A' ' 589' ' ' LYS . 68.6 m-80 -116.77 -6.22 11.55 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.683 -0.689 . . . . 25.0 111.876 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 80.1 p -132.6 163.94 27.77 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.526 -0.307 . . . . 25.0 110.928 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 73.5 ttt-85 -72.7 -28.28 62.58 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.941 -0.572 . . . . 25.0 111.459 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.38 -25.28 36.42 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 123.252 0.345 . . . . 25.0 111.565 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -86.08 -45.36 11.47 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 110.183 -0.303 . . . . 25.0 110.183 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -52.89 -55.1 25.72 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.372 0.669 . . . . 25.0 111.491 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.522 ' CE2' HD21 ' A' ' 603' ' ' LEU . 13.0 m-30 -67.83 -16.13 63.95 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 177.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -84.63 -36.87 21.7 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.487 0.315 . . . . 25.0 111.758 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.435 ' HB2' ' HG2' ' A' ' 639' ' ' MET . 85.3 mt -65.71 -37.02 85.26 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.017 0.527 . . . . 25.0 112.112 178.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.409 ' CD1' HD11 ' A' ' 607' ' ' LEU . 6.2 tt -72.96 -27.68 61.97 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.994 -0.548 . . . . 25.0 112.019 172.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -82.02 -28.0 32.76 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.279 0.474 . . . . 25.0 112.279 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -71.85 -35.77 69.95 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -65.02 -29.75 70.68 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 171.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 4.3 mt -68.88 -38.97 79.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-N 115.242 -0.89 . . . . 25.0 111.129 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -84.49 -29.22 26.18 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.957 0.408 . . . . 25.0 110.446 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -74.88 -28.22 60.56 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 115.152 -0.931 . . . . 25.0 112.277 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.52 HG21 HG12 ' A' ' 611' ' ' ILE . 91.0 mt -82.27 -27.58 9.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 175.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -65.19 -19.4 65.96 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.709 -0.678 . . . . 25.0 112.236 173.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -73.56 -43.02 60.85 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 122.862 0.465 . . . . 25.0 112.056 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -70.09 -39.49 75.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 122.978 0.511 . . . . 25.0 112.339 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.17 -21.65 66.35 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.299 0.481 . . . . 25.0 112.299 172.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -86.33 -19.97 29.01 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 122.615 0.366 . . . . 25.0 110.929 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -75.49 -26.28 58.03 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.66 0.384 . . . . 25.0 111.361 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 671' ' ' ARG . 33.8 mmtm -86.47 -17.41 34.3 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.022 -0.535 . . . . 25.0 111.319 175.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -84.49 -47.7 10.35 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.899 -0.591 . . . . 25.0 111.722 -174.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -91.65 -48.24 6.94 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 111.671 0.249 . . . . 25.0 111.671 -174.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 87.2 p -101.98 -11.36 19.0 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.439 0.533 . . . . 25.0 112.439 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.498 ' HA ' ' O ' ' A' ' 667' ' ' LYS . 95.6 mtt-85 68.55 1.19 2.88 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.248 1.019 . . . . 25.0 112.369 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 117.963 -1.017 . . . . 25.0 110.734 177.703 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.501 -0.24 . . . . 25.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 42.2 t 62.05 119.27 0.02 OUTLIER Pre-proline 0 N--CA 1.485 1.315 0 C-N-CA 124.269 1.027 . . . . 25.0 111.937 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -74.41 -22.47 16.17 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.374 2.049 . . . . 25.0 113.884 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -177.54 -51.28 0.07 OUTLIER Glycine 0 C--N 1.339 0.725 0 C-N-CA 121.392 -0.432 . . . . 25.0 112.81 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 85.1 t80 59.42 87.08 0.14 Allowed Pre-proline 0 CA--C 1.555 1.166 0 C-N-CA 123.97 0.908 . . . . 25.0 111.384 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -69.04 153.99 71.32 Favored 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 122.772 2.314 . . . . 25.0 113.077 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -98.85 130.98 45.29 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.827 -0.624 . . . . 25.0 110.394 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 120.85 101.57 1.8 Allowed Glycine 0 C--N 1.338 0.645 0 CA-C-N 115.787 -0.642 . . . . 25.0 112.441 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . 0.533 ' C ' ' H ' ' B' ' 529' ' ' SER . 79.1 mt -125.44 129.87 50.7 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.691 -0.485 . . . . 25.0 109.691 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 52.5 mt 61.46 -12.76 0.05 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.641 1.177 . . . . 25.0 112.615 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . 0.533 ' H ' ' C ' ' B' ' 527' ' ' LEU . 77.1 p -128.18 15.08 6.75 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.013 -0.54 . . . . 25.0 111.083 178.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -95.2 -48.73 2.36 Favored Glycine 0 C--N 1.342 0.906 0 CA-C-N 116.03 -0.532 . . . . 25.0 113.109 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -123.67 -0.6 8.58 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.07 0.462 . . . . 25.0 110.334 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -101.74 -4.4 26.49 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.403 -0.817 . . . . 25.0 112.188 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.06 -33.85 16.99 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.382 -0.826 . . . . 25.0 111.833 -175.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -87.91 -12.01 45.98 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.708 0.289 . . . . 25.0 111.336 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 84.6 p -67.92 -20.38 65.08 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.717 -0.674 . . . . 25.0 111.401 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 77.9 p -83.35 -28.39 29.03 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.733 -0.667 . . . . 25.0 110.679 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 81.5 mt -86.82 -25.65 6.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 115.362 -0.836 . . . . 25.0 111.251 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.26 -11.3 59.41 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.771 0.656 . . . . 25.0 112.771 -175.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -102.5 -11.18 18.74 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.366 -0.834 . . . . 25.0 109.614 173.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 92.8 mtp -89.25 -29.01 19.53 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.255 -0.884 . . . . 25.0 110.926 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -90.95 -21.15 21.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.84 -0.618 . . . . 25.0 111.629 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -76.85 -28.01 55.32 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.102 0.251 . . . . 25.0 110.98 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 77.1 p -81.78 -24.78 35.77 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.097 -0.501 . . . . 25.0 111.616 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.29 -22.58 30.65 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.184 0.438 . . . . 25.0 112.184 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' A' ' 612' ' ' PHE . 79.1 mt -81.05 -22.91 38.94 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.49 -32.33 19.51 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.834 0.349 . . . . 25.0 110.989 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.6 p -76.27 -16.95 59.68 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.481 -0.782 . . . . 25.0 112.523 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -91.98 -11.61 35.61 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.827 0.677 . . . . 25.0 112.827 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 86.4 mt -101.93 -32.95 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.22 -0.445 . . . . 25.0 111.956 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 95.4 p -99.13 -34.6 10.31 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 123.317 0.386 . . . . 25.0 111.25 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 117.978 -1.01 . . . . 25.0 112.26 179.777 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.499 -0.24 . . . . 25.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 73.3 t -90.16 140.83 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 109.869 -0.419 . . . . 25.0 109.869 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -92.55 124.06 36.31 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.868 -0.606 . . . . 25.0 110.515 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -127.69 131.35 49.79 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.248 -0.433 . . . . 25.0 111.27 -177.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -80.84 -19.15 68.43 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-N 115.579 -0.737 . . . . 25.0 113.856 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.506 ' CZ3' ' HD2' ' A' ' 646' ' ' ARG . 91.0 m95 -84.46 -18.6 35.37 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -178.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -80.86 -13.25 59.1 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.352 -0.385 . . . . 25.0 111.64 171.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -76.96 -38.87 52.42 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.303 0.483 . . . . 25.0 112.303 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -90.16 -20.58 22.92 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.147 0.28 . . . . 25.0 111.695 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 52.8 t -85.24 128.51 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 73.2 p -111.12 -176.67 3.01 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.649 -0.705 . . . . 25.0 111.845 -176.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -78.69 -17.76 55.41 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.337 -0.847 . . . . 25.0 110.029 170.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -83.02 -25.29 32.31 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.846 -0.616 . . . . 25.0 111.138 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 3.2 tp -66.61 -50.35 63.29 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 122.885 0.116 . . . . 25.0 111.281 172.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -58.09 -22.39 50.29 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 -174.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.9 p -83.82 -31.91 25.58 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 123.408 0.443 . . . . 25.0 111.247 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -80.5 -22.99 40.43 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.008 0.523 . . . . 25.0 110.572 176.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.418 HD21 ' CE2' ' A' ' 650' ' ' TYR . 6.6 mt -74.9 -32.59 61.87 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.113 -0.949 . . . . 25.0 110.126 174.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 11.6 t -83.49 -31.15 8.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 114.951 -1.022 . . . . 25.0 110.918 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 38.0 m170 -76.64 -16.91 59.43 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 120.896 0.379 . . . . 25.0 110.661 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -85.29 -26.42 26.62 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 122.077 0.941 . . . . 25.0 108.817 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.528 HD22 HD11 ' A' ' 653' ' ' LEU . 23.0 tp -87.58 -40.35 14.32 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 113.071 -1.877 . . . . 25.0 111.775 -176.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.07 -21.52 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 123.329 0.651 . . . . 25.0 111.365 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -83.14 -27.3 30.22 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.591 0.234 . . . . 25.0 111.289 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.9 -23.04 48.84 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.882 -0.599 . . . . 25.0 111.466 174.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.601 HG12 HG21 ' A' ' 660' ' ' ILE . 95.3 mt -87.4 -59.07 2.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 177.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -143.97 106.47 4.91 Favored Pre-proline 0 CA--C 1.547 0.855 0 N-CA-C 110.089 -0.337 . . . . 25.0 110.089 171.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -80.68 145.43 16.21 Favored 'Trans proline' 0 C--N 1.372 1.816 0 C-N-CA 121.999 1.799 . . . . 25.0 112.523 174.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 87.7 m -143.75 124.86 8.03 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 116.26 -0.427 . . . . 25.0 112.073 -177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -49.08 -52.17 9.24 Favored 'Trans proline' 0 C--N 1.372 1.78 0 C-N-CA 124.076 3.184 . . . . 25.0 114.108 171.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -86.07 116.36 65.46 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 115.423 -0.808 . . . . 25.0 111.727 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -63.28 -10.13 20.1 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.926 2.417 . . . . 25.0 114.057 174.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.29 -10.45 59.47 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -82.68 -16.88 46.51 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 122.548 0.339 . . . . 25.0 111.748 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.475 HD23 ' SD ' ' A' ' 625' ' ' MET . 97.6 mt -84.04 1.04 45.76 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.147 -0.479 . . . . 25.0 112.115 -177.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -104.57 14.63 29.58 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.933 0.397 . . . . 25.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -88.6 157.77 18.48 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.78 -0.646 . . . . 25.0 110.818 -177.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 16.7 mmp_? -78.65 -37.45 41.95 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.827 -176.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -72.42 -23.16 61.05 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 114.66 -1.155 . . . . 25.0 111.936 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.475 ' SD ' HD23 ' A' ' 620' ' ' LEU . 0.0 OUTLIER -88.97 -35.2 16.56 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 122.832 0.453 . . . . 25.0 110.844 178.318 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -54.68 -20.41 8.18 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.543 0.737 . . . . 25.0 112.699 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -66.34 -41.09 90.09 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 122.842 0.457 . . . . 25.0 111.828 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.595 HD23 ' CD2' ' A' ' 631' ' ' TYR . 91.5 mt -86.52 -27.86 23.75 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.985 0.178 . . . . 25.0 111.048 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.09 -34.51 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 170.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -77.35 -18.67 57.2 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.802 -1.09 . . . . 25.0 111.395 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.595 ' CD2' HD23 ' A' ' 628' ' ' LEU . 5.6 m-30 -79.57 -34.65 40.69 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.679 -0.692 . . . . 25.0 110.693 172.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.411 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -84.6 -35.57 22.65 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.156 -0.475 . . . . 25.0 112.24 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -66.4 -26.05 67.06 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.929 0.492 . . . . 25.0 112.273 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -85.25 -30.01 24.17 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.785 0.661 . . . . 25.0 112.785 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.445 ' O ' ' HG3' ' A' ' 639' ' ' MET . 77.6 t -73.99 -36.73 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 111.583 0.216 . . . . 25.0 111.583 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.81 -30.55 71.56 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.074 0.549 . . . . 25.0 111.368 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -82.94 -21.18 59.74 Favored Glycine 0 C--N 1.346 1.132 0 O-C-N 123.486 0.491 . . . . 25.0 113.357 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -83.93 -18.63 36.69 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 122.779 0.432 . . . . 25.0 110.584 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.734 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 9.1 mtm -70.23 -25.23 63.29 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.802 0.667 . . . . 25.0 112.802 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -74.99 -33.48 61.86 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 111.65 0.241 . . . . 25.0 111.65 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -88.34 -19.62 26.44 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.956 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 95.3 p -96.15 -33.91 11.87 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.235 0.334 . . . . 25.0 111.771 -177.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -95.95 141.55 29.24 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.195 0.309 . . . . 25.0 111.631 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -112.31 -8.18 13.95 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.802 -0.635 . . . . 25.0 111.981 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 94.4 p -132.7 171.59 13.66 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.311 -0.404 . . . . 25.0 110.953 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.506 ' HD2' ' CZ3' ' A' ' 591' ' ' TRP . 79.1 ttt-85 -76.87 -33.69 57.84 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -81.06 -20.08 42.38 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 123.167 0.292 . . . . 25.0 111.587 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -85.86 -37.38 19.23 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 109.864 -0.421 . . . . 25.0 109.864 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -58.46 -55.82 30.11 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.273 0.629 . . . . 25.0 111.385 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.418 ' CE2' HD21 ' A' ' 603' ' ' LEU . 62.5 m-85 -72.82 -17.84 61.52 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.557 0.947 . . . . 25.0 113.557 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -84.66 -40.25 17.63 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 111.782 0.29 . . . . 25.0 111.782 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 36.0 mt -54.08 -42.97 69.93 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.403 0.681 . . . . 25.0 112.61 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.734 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -68.39 -33.5 74.36 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.882 -0.599 . . . . 25.0 111.697 174.399 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.435 ' O ' ' CD1' ' A' ' 658' ' ' TYR . . . -72.67 -25.81 61.4 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.194 -0.457 . . . . 25.0 111.325 175.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -67.58 -45.44 75.54 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.856 -0.611 . . . . 25.0 112.195 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -68.14 -24.81 65.04 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 1.7 mt -72.9 -29.38 29.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 CA-C-N 115.53 -0.759 . . . . 25.0 110.011 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . 0.435 ' CD1' ' O ' ' A' ' 654' ' ' ALA . 35.0 m-85 -84.71 -32.65 23.41 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.079 -0.51 . . . . 25.0 110.999 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -78.87 -31.38 45.52 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 123.534 0.521 . . . . 25.0 112.388 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.601 HG21 HG12 ' A' ' 611' ' ' ILE . 96.7 mt -76.97 -28.55 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.719 -0.475 . . . . 25.0 109.719 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -70.12 -19.66 63.22 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.345 -0.843 . . . . 25.0 112.078 172.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -77.62 -40.79 40.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.758 0.423 . . . . 25.0 111.777 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -73.59 -41.71 62.51 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.009 0.524 . . . . 25.0 111.66 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.5 -18.51 62.28 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.334 -0.848 . . . . 25.0 112.255 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.38 -20.38 66.36 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.011 0.524 . . . . 25.0 111.484 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -73.86 -21.59 60.05 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.822 0.449 . . . . 25.0 111.193 174.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -86.03 -18.21 33.12 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.903 -0.59 . . . . 25.0 110.979 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -82.8 -16.96 45.79 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.971 -0.559 . . . . 25.0 111.37 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -91.51 -41.61 10.72 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.285 -0.416 . . . . 25.0 111.16 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 96.9 p -80.6 -23.17 40.0 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.823 0.675 . . . . 25.0 112.823 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -93.38 -10.01 36.71 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.744 0.307 . . . . 25.0 111.499 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.094 -0.955 . . . . 25.0 110.746 178.739 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.452 -0.259 . . . . 25.0 112.452 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 28.1 t -115.6 128.79 25.67 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-O 119.556 -0.259 . . . . 25.0 111.017 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -73.55 138.34 26.71 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.397 2.064 . . . . 25.0 113.329 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 114.75 136.09 6.07 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 115.899 -0.592 . . . . 25.0 112.635 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -112.11 99.94 47.68 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 110.25 -0.278 . . . . 25.0 110.25 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -65.86 141.81 66.67 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 122.696 2.264 . . . . 25.0 113.124 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -127.93 136.52 51.45 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.888 -0.596 . . . . 25.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 129.23 33.05 0.55 Allowed Glycine 0 C--N 1.336 0.563 0 CA-C-N 115.796 -0.638 . . . . 25.0 113.069 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 95.0 mt -124.38 20.72 8.78 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.746 0.308 . . . . 25.0 111.149 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.14 -1.14 7.04 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.031 0.443 . . . . 25.0 111.253 -175.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 48.1 t -151.24 88.36 1.44 Allowed 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.67 -0.695 . . . . 25.0 109.814 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -163.4 -42.52 0.02 OUTLIER Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.619 -0.718 . . . . 25.0 112.88 -178.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -117.48 1.95 12.37 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.058 0.456 . . . . 25.0 110.891 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -95.82 -4.43 43.81 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.26 -0.882 . . . . 25.0 112.389 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -84.97 -35.64 21.89 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.31 -0.859 . . . . 25.0 111.306 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 22.6 m-30 -89.07 -11.81 43.03 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 122.512 0.325 . . . . 25.0 110.834 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 84.6 p -66.62 -21.76 66.12 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 122.965 0.506 . . . . 25.0 112.059 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 87.6 p -89.1 -23.67 22.45 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.366 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 66.9 mt -86.81 -30.84 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 116.339 -0.391 . . . . 25.0 111.102 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.98 -11.65 58.75 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.831 0.678 . . . . 25.0 112.831 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -98.73 -14.07 19.93 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.414 -0.812 . . . . 25.0 109.824 175.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 96.1 mtp -92.11 -27.8 17.51 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.264 -0.88 . . . . 25.0 110.888 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -92.57 -19.56 21.81 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.518 -0.764 . . . . 25.0 111.752 -177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -73.64 -25.52 60.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.457 0.17 . . . . 25.0 111.21 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.8 p -81.81 -25.49 35.17 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.115 -0.493 . . . . 25.0 111.624 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.2 -22.81 30.78 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.275 -0.42 . . . . 25.0 112.009 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 58.9 mt -83.37 -16.55 45.57 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.553 0.575 . . . . 25.0 112.553 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 93.5 mt -77.68 -43.33 31.57 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.915 0.388 . . . . 25.0 110.817 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.6 p -76.81 -16.21 59.51 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.251 -0.886 . . . . 25.0 111.944 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -74.64 -27.52 60.48 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.122 0.569 . . . . 25.0 112.188 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 40.8 pt -104.89 -19.47 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 115.764 -0.653 . . . . 25.0 112.27 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 81.0 p -94.74 -38.1 10.95 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.364 0.415 . . . . 25.0 111.369 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 117.954 -1.022 . . . . 25.0 110.866 179.767 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.517 -0.233 . . . . 25.0 112.517 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 34.1 m -90.43 155.86 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -91.53 123.38 34.9 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.196 -0.457 . . . . 25.0 111.424 -174.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -130.36 -172.03 2.69 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.291 -0.868 . . . . 25.0 110.797 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -63.95 -38.33 95.91 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 114.332 0.493 . . . . 25.0 114.332 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.494 ' HD1' ' H ' ' A' ' 592' ' ' HIS . 0.3 OUTLIER -68.31 -34.85 76.87 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.666 0.617 . . . . 25.0 112.666 -177.492 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . 0.494 ' H ' ' HD1' ' A' ' 591' ' ' TRP . 61.4 t-80 -71.05 -12.92 61.78 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 122.595 0.358 . . . . 25.0 111.623 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -83.0 -25.67 32.0 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -112.22 -23.65 10.28 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.882 0.697 . . . . 25.0 112.882 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.508 HG22 HD23 ' A' ' 599' ' ' LEU . 77.5 t -79.82 125.83 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 120.851 0.358 . . . . 25.0 110.156 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 66.8 p -112.45 -176.48 2.92 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.325 -0.852 . . . . 25.0 111.238 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -71.4 -18.69 62.33 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.55 -0.75 . . . . 25.0 110.025 166.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -83.3 -39.06 21.29 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 116.148 -0.478 . . . . 25.0 112.171 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.508 HD23 HG22 ' A' ' 595' ' ' VAL . 60.3 tp -62.75 -47.13 84.9 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 111.843 0.312 . . . . 25.0 111.843 177.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -57.61 -29.46 64.54 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.748 0.419 . . . . 25.0 111.66 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 69.6 p -80.55 -25.92 38.32 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.346 -0.843 . . . . 25.0 111.138 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -84.67 -20.31 31.47 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.01 -0.541 . . . . 25.0 110.894 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 35.7 mt -78.63 -37.13 42.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.56 0.744 . . . . 25.0 109.674 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 53.5 t -71.52 -35.61 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 114.728 -1.124 . . . . 25.0 110.65 171.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -74.92 -17.22 60.6 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.857 0.361 . . . . 25.0 110.388 175.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -83.22 -22.7 33.06 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.438 -0.801 . . . . 25.0 109.178 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.499 HD23 ' HB1' ' A' ' 632' ' ' ALA . 3.2 tp -86.53 -43.59 12.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.13 -1.396 . . . . 25.0 111.5 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 63.7 t -71.02 -24.3 24.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.344 0.657 . . . . 25.0 111.414 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -84.9 -26.89 27.0 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.575 0.226 . . . . 25.0 111.285 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -75.66 -28.77 58.86 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.889 -0.596 . . . . 25.0 111.286 174.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 51.9 mt -91.25 -41.29 13.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 116.088 -0.506 . . . . 25.0 109.764 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -134.59 100.69 12.26 Favored Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 122.79 0.436 . . . . 25.0 110.205 174.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.3 133.68 13.5 Favored 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.418 2.079 . . . . 25.0 112.492 174.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.23 126.87 5.65 Favored Pre-proline 0 CA--C 1.543 0.704 0 CA-C-N 116.357 -0.383 . . . . 25.0 111.924 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -52.85 -52.45 8.81 Favored 'Trans proline' 0 C--N 1.371 1.73 0 C-N-CA 123.814 3.01 . . . . 25.0 114.067 172.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 41.6 t0 -86.83 121.69 71.73 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 115.561 -0.745 . . . . 25.0 112.163 -176.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 55.5 Cg_endo -63.46 -10.23 20.92 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 123.037 2.491 . . . . 25.0 114.085 173.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.13 -8.19 57.07 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.852 0.686 . . . . 25.0 112.852 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.62 -7.94 59.65 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.208 0.447 . . . . 25.0 112.208 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 98.4 mt -82.98 4.03 27.63 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.925 -0.58 . . . . 25.0 112.527 -174.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -98.8 15.25 26.04 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.055 0.455 . . . . 25.0 111.337 -176.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -81.73 154.42 26.03 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.63 -0.713 . . . . 25.0 111.047 -177.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -83.44 -37.17 23.55 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.865 -175.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 -66.8 -22.09 66.03 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.077 -0.965 . . . . 25.0 111.953 176.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.519 ' HG3' HG23 ' A' ' 629' ' ' VAL . 26.2 tpp -79.19 -40.68 30.2 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.23 0.612 . . . . 25.0 111.399 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -54.8 -21.13 10.2 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 112.613 0.597 . . . . 25.0 112.613 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -79.99 -28.51 39.47 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.51 0.324 . . . . 25.0 111.467 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 65.1 tp -86.04 -42.27 14.1 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.004 0.522 . . . . 25.0 110.203 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.519 HG23 ' HG3' ' A' ' 625' ' ' MET . 54.5 t -57.43 -29.44 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.193 0.597 . . . . 25.0 110.784 174.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -78.0 -18.71 55.59 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.874 -0.603 . . . . 25.0 111.53 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.456 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 15.5 t80 -76.54 -40.77 48.88 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.531 171.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.499 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -84.2 -21.73 31.16 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 123.208 0.318 . . . . 25.0 111.788 -176.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.483 ' HD2' HG12 ' A' ' 629' ' ' VAL . 46.3 mttt -70.88 -24.42 62.49 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.913 0.387 . . . . 25.0 111.618 175.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -85.31 -33.73 22.03 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.344 -0.843 . . . . 25.0 111.817 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.602 ' O ' ' HG3' ' A' ' 639' ' ' MET . 96.1 t -75.86 -31.96 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 112.423 0.527 . . . . 25.0 112.423 -173.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -70.13 -28.91 65.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.499 0.32 . . . . 25.0 111.464 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -82.06 -22.05 59.96 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 116.315 -0.402 . . . . 25.0 113.281 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -84.92 -18.86 33.36 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.726 0.411 . . . . 25.0 110.496 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.801 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 2.9 mtm -69.76 -32.86 71.62 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.427 0.691 . . . . 25.0 112.694 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -78.47 -25.18 45.74 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.092 0.245 . . . . 25.0 111.319 -176.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -88.35 -22.69 23.68 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.25 -0.432 . . . . 25.0 111.502 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 p -96.15 -30.05 13.73 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.252 -0.431 . . . . 25.0 111.973 -177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . 0.403 ' O ' ' CH2' ' A' ' 591' ' ' TRP . . . -99.98 151.81 20.91 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.866 0.321 . . . . 25.0 111.866 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -121.0 -13.5 8.58 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.726 -0.67 . . . . 25.0 110.974 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 94.3 p -131.57 173.0 11.56 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.534 -0.303 . . . . 25.0 111.115 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.519 ' HG3' ' CE1' ' A' ' 650' ' ' TYR . 16.6 ttt-85 -75.23 -32.47 61.15 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.804 0.441 . . . . 25.0 111.673 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -80.38 -21.84 41.91 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 111.97 0.359 . . . . 25.0 111.97 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -86.6 -42.73 13.22 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 110.128 -0.323 . . . . 25.0 110.128 175.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -57.3 -51.42 69.44 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.252 0.621 . . . . 25.0 111.726 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.519 ' CE1' ' HG3' ' A' ' 646' ' ' ARG . 35.8 m-85 -75.74 -17.32 59.95 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.649 0.981 . . . . 25.0 113.649 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -84.85 -36.61 21.46 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 111.728 0.27 . . . . 25.0 111.728 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 43.8 mt -57.7 -39.12 76.47 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.603 0.761 . . . . 25.0 112.393 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.801 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -73.67 -34.83 65.08 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.635 -0.711 . . . . 25.0 112.277 174.275 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -75.3 -27.68 59.42 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -74.91 -30.84 61.39 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -71.09 -29.52 65.4 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 171.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 1.8 mt -69.56 -30.55 45.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.168 -0.924 . . . . 25.0 110.662 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -85.19 -34.28 22.1 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.231 -0.441 . . . . 25.0 111.275 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -75.11 -33.95 61.65 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 -177.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 80.9 mt -72.14 -32.75 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -71.34 -20.07 62.22 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.549 -0.751 . . . . 25.0 112.379 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -74.37 -38.47 63.17 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.16 0.429 . . . . 25.0 112.16 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -74.06 -44.1 55.43 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.189 0.596 . . . . 25.0 111.403 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.23 -19.2 61.75 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.849 -0.614 . . . . 25.0 112.16 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.89 -21.52 61.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 122.769 0.427 . . . . 25.0 110.992 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -75.29 -23.81 57.43 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.016 175.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -86.42 -20.01 28.82 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.985 -0.552 . . . . 25.0 110.882 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -87.05 -19.93 27.9 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.991 -0.55 . . . . 25.0 111.286 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -89.82 -8.93 50.93 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.427 0.291 . . . . 25.0 111.727 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 78.3 p -93.67 -30.63 14.82 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.399 -0.364 . . . . 25.0 111.788 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -87.52 -67.22 0.84 Allowed 'General case' 0 C--N 1.342 0.254 0 CA-C-O 121.065 0.46 . . . . 25.0 111.749 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 68.8 mt . . . . . 0 C--O 1.249 1.075 0 CA-C-O 117.931 -1.033 . . . . 25.0 111.641 -179.685 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.495 -0.242 . . . . 25.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 72.3 m -108.22 128.86 24.9 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-O 119.524 -0.274 . . . . 25.0 110.661 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -72.03 138.79 31.66 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.435 2.09 . . . . 25.0 113.419 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 141.91 149.68 5.23 Favored Glycine 0 C--N 1.336 0.583 0 CA-C-N 115.808 -0.633 . . . . 25.0 112.574 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -102.39 142.28 24.25 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-O 119.002 -0.523 . . . . 25.0 110.903 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -57.01 -65.05 0.11 Allowed 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.483 2.122 . . . . 25.0 113.957 -173.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 49.8 t30 59.07 123.89 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.181 0.993 . . . . 25.0 112.515 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 153.06 75.01 0.01 OUTLIER Glycine 0 C--N 1.338 0.648 0 CA-C-N 115.756 -0.656 . . . . 25.0 112.706 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 95.8 mt -124.61 17.3 8.82 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 120.842 0.353 . . . . 25.0 111.031 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 91.2 mt -76.95 18.28 0.37 Allowed 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 115.95 -0.568 . . . . 25.0 111.77 -172.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 82.5 p -136.51 -46.94 0.62 Allowed 'General case' 0 C--N 1.345 0.373 0 CA-C-N 116.448 -0.342 . . . . 25.0 111.578 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 98.3 21.68 16.81 Favored Glycine 0 C--N 1.344 0.981 0 O-C-N 123.423 0.452 . . . . 25.0 113.605 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -127.5 1.38 6.24 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.937 0.398 . . . . 25.0 111.143 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -94.53 -4.08 48.66 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.624 -0.716 . . . . 25.0 112.272 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -83.57 -9.24 59.06 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.047 -0.979 . . . . 25.0 111.658 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . 0.507 ' CD2' ' HB2' ' B' ' 538' ' ' ALA . 0.2 OUTLIER -82.88 -11.71 57.98 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.238 0.459 . . . . 25.0 112.238 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 97.0 p -73.27 -26.17 60.99 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.279 -0.418 . . . . 25.0 111.285 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 81.0 p -90.05 -38.89 13.27 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.878 -0.601 . . . . 25.0 112.014 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.6 mt -86.04 -40.02 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 112.025 0.38 . . . . 25.0 112.025 -174.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . 0.507 ' HB2' ' CD2' ' B' ' 534' ' ' PHE . . . -79.2 -15.79 57.52 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.559 0.577 . . . . 25.0 112.559 -176.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -92.09 -25.68 18.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.447 -0.797 . . . . 25.0 109.633 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 92.9 mtp -75.75 -21.48 57.42 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.81 -0.632 . . . . 25.0 110.549 169.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -79.99 -54.87 5.39 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.175 -0.92 . . . . 25.0 111.405 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.11 -18.79 60.76 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 -173.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.9 p -78.85 -23.18 45.14 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.383 0.427 . . . . 25.0 111.313 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -81.97 -31.91 30.95 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.293 -0.412 . . . . 25.0 111.18 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 4.4 mt -84.05 -14.18 51.2 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.823 -0.626 . . . . 25.0 111.333 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 47.6 tp -74.92 -38.54 61.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.751 -0.659 . . . . 25.0 111.245 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.5 p -76.05 -16.46 59.93 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.696 -0.683 . . . . 25.0 112.004 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -78.85 -11.23 59.99 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 66.1 mt -98.07 -32.63 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 116.008 -0.542 . . . . 25.0 110.523 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 78.4 p -95.48 -40.39 9.5 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.247 0.342 . . . . 25.0 111.549 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.765 -0.636 . . . . 25.0 110.595 -179.801 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.489 -0.245 . . . . 25.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 73.5 t -90.33 137.86 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 109.861 -0.422 . . . . 25.0 109.861 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -92.12 122.79 34.95 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.056 -0.52 . . . . 25.0 111.161 -175.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.741 ' HD2' ' HE1' ' A' ' 591' ' ' TRP . 84.5 mttt -139.52 156.95 46.6 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.447 -0.797 . . . . 25.0 111.048 -176.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -79.74 -18.61 72.57 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 115.436 -0.802 . . . . 25.0 114.165 -176.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.741 ' HE1' ' HD2' ' A' ' 589' ' ' LYS . 12.4 p-90 -84.21 -33.28 24.17 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.988 0.394 . . . . 25.0 111.48 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -63.97 -41.3 97.58 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.503 0.721 . . . . 25.0 111.984 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -84.61 -10.54 57.27 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 123.182 0.301 . . . . 25.0 111.703 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -95.06 -26.18 16.16 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.699 -0.682 . . . . 25.0 111.445 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.586 HG13 HD23 ' A' ' 599' ' ' LEU . 25.4 t -82.47 131.86 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 120.858 0.361 . . . . 25.0 110.367 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 81.8 p -104.4 176.57 5.11 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.404 -0.817 . . . . 25.0 111.568 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -78.14 -17.69 56.56 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.519 -0.764 . . . . 25.0 110.014 170.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -81.64 -24.09 36.56 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.703 -0.681 . . . . 25.0 110.915 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.586 HD23 HG13 ' A' ' 595' ' ' VAL . 15.5 tp -67.38 -49.79 62.42 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.05 0.218 . . . . 25.0 111.272 173.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -59.83 -22.15 61.86 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -175.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 95.2 p -84.12 -28.52 27.43 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.162 -0.472 . . . . 25.0 111.155 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -84.35 -20.52 31.85 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.068 -0.515 . . . . 25.0 110.834 178.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 42.6 mt -76.56 -35.78 58.01 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.446 0.699 . . . . 25.0 109.867 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 53.5 t -71.94 -39.2 66.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 114.783 -1.098 . . . . 25.0 110.698 172.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -71.96 -17.53 62.06 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.355 0.409 . . . . 25.0 110.621 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -85.27 -22.48 28.58 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.518 -0.764 . . . . 25.0 109.226 175.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 13.1 mt -86.88 -40.66 14.66 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 114.278 -1.328 . . . . 25.0 111.626 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.2 t -71.71 -25.59 24.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.361 0.665 . . . . 25.0 111.512 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -81.12 -26.71 35.94 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 120.615 0.245 . . . . 25.0 111.65 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -78.31 -35.54 47.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.857 -0.611 . . . . 25.0 111.596 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.459 HG12 HG21 ' A' ' 660' ' ' ILE . 91.7 mt -77.76 -49.57 21.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 109.827 -0.434 . . . . 25.0 109.827 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.517 ' CZ ' ' HB3' ' B' ' 545' ' ' LEU . 57.4 t80 -140.36 103.3 6.6 Favored Pre-proline 0 CA--C 1.551 0.989 0 O-C-N 123.233 0.333 . . . . 25.0 110.287 172.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -75.94 136.02 18.07 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.434 2.089 . . . . 25.0 112.505 174.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.8 t -148.94 126.14 5.53 Favored Pre-proline 0 CA--C 1.544 0.748 0 N-CA-C 112.119 0.414 . . . . 25.0 112.119 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -49.9 -53.87 6.37 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 124.109 3.206 . . . . 25.0 114.379 172.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -80.38 117.31 67.11 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.492 -0.776 . . . . 25.0 112.33 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -65.47 -10.32 25.77 Favored 'Trans proline' 0 C--N 1.376 1.981 0 C-N-CA 122.786 2.324 . . . . 25.0 113.946 172.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -74.78 -8.2 55.72 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.732 0.642 . . . . 25.0 112.732 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.42 -12.11 59.04 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 90.8 mt -85.15 2.85 41.79 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.393 0.516 . . . . 25.0 112.393 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -103.33 14.36 31.7 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.07 0.462 . . . . 25.0 110.655 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -87.76 153.63 21.2 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.755 -177.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.3 mmp_? -79.2 -37.08 39.1 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 115.429 -0.805 . . . . 25.0 110.882 -175.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -73.04 -21.46 60.8 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.784 -1.098 . . . . 25.0 112.378 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -86.67 -37.11 18.3 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.506 0.322 . . . . 25.0 111.211 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -53.73 -19.86 4.74 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.629 0.974 . . . . 25.0 113.629 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -68.82 -39.69 79.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.768 0.427 . . . . 25.0 111.723 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 79.0 mt -86.44 -31.06 21.6 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.513 0.197 . . . . 25.0 110.696 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 67.9 t -54.52 -34.92 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 123.21 0.604 . . . . 25.0 110.032 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -80.23 -18.48 49.34 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.756 -1.111 . . . . 25.0 111.545 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -73.88 -40.18 63.39 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.075 0.55 . . . . 25.0 110.741 172.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.68 -28.04 26.66 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.44 -0.345 . . . . 25.0 111.903 -177.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -61.54 -32.0 72.05 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.313 0.645 . . . . 25.0 112.252 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -87.07 -27.56 23.08 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.092 1.145 . . . . 25.0 114.092 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.71 -54.85 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 112.916 0.71 . . . . 25.0 112.916 -170.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -58.62 -20.62 49.04 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 113.453 0.909 . . . . 25.0 113.453 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.36 -23.41 78.1 Favored Glycine 0 C--N 1.345 1.035 0 C-N-CA 121.701 -0.285 . . . . 25.0 112.828 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -87.28 -19.44 28.26 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.876 0.47 . . . . 25.0 111.312 175.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.465 ' SD ' ' HB3' ' A' ' 653' ' ' LEU . 4.9 mtm -72.41 -20.77 61.37 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.898 0.479 . . . . 25.0 112.033 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -75.3 -34.45 61.29 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.959 -0.564 . . . . 25.0 111.371 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -88.82 -25.26 22.3 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.182 -0.463 . . . . 25.0 112.115 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 m -86.63 -45.93 10.56 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.905 0.335 . . . . 25.0 111.905 -175.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -84.74 147.28 26.96 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.276 0.36 . . . . 25.0 111.896 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -107.82 -13.12 15.07 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.723 -0.671 . . . . 25.0 111.201 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.3 p -131.72 159.25 38.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.494 -0.321 . . . . 25.0 110.672 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -75.56 -25.18 56.88 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.894 -0.593 . . . . 25.0 111.839 -175.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -81.31 -23.28 37.96 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 123.29 0.368 . . . . 25.0 111.326 175.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -86.17 -44.03 12.54 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.201 -0.454 . . . . 25.0 109.993 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -53.9 -50.7 65.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.712 0.805 . . . . 25.0 111.487 178.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.735 ' HA ' HD23 ' A' ' 653' ' ' LEU . 20.3 m-30 -66.17 -16.42 63.96 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.194 0.813 . . . . 25.0 113.194 174.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -84.82 -29.34 25.44 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.398 0.518 . . . . 25.0 112.398 -175.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.45 -28.51 67.94 Favored 'General case' 0 C--N 1.349 0.566 0 N-CA-C 112.008 0.373 . . . . 25.0 112.008 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.735 HD23 ' HA ' ' A' ' 650' ' ' TYR . 0.2 OUTLIER -87.71 -29.9 20.75 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.21 0.319 . . . . 25.0 111.746 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.487 ' N ' ' HG ' ' A' ' 653' ' ' LEU . . . -76.2 -24.91 54.7 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.252 0.345 . . . . 25.0 111.699 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -79.02 -31.72 44.79 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -68.78 -29.72 68.15 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 109.07 -0.715 . . . . 25.0 109.07 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 4.3 mt -69.86 -39.0 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-N 115.405 -0.816 . . . . 25.0 111.186 -176.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -82.99 -29.0 29.31 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.915 0.388 . . . . 25.0 110.356 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -76.36 -34.17 58.94 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.216 -0.902 . . . . 25.0 112.41 -177.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.459 HG21 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -75.07 -30.21 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 N-CA-C 109.905 -0.406 . . . . 25.0 109.905 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -63.08 -19.73 64.69 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.334 -0.848 . . . . 25.0 112.656 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -77.89 -43.11 31.09 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.806 0.442 . . . . 25.0 111.459 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -63.56 -42.64 98.33 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.899 0.88 . . . . 25.0 112.051 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.45 -18.75 65.54 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.996 -0.547 . . . . 25.0 112.435 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -86.35 -17.65 33.95 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 122.247 0.219 . . . . 25.0 111.425 175.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -74.43 -24.17 59.04 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.74 0.416 . . . . 25.0 111.42 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.535 ' HE2' ' OD2' ' B' ' 539' ' ' ASP . 40.0 mmtm -84.99 -17.39 37.75 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.317 175.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -80.58 -24.51 39.13 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.916 -0.584 . . . . 25.0 111.48 -178.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -91.74 -46.44 7.89 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 123.261 0.351 . . . . 25.0 111.568 -177.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 85.7 p -100.26 -37.61 8.83 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.255 0.465 . . . . 25.0 112.255 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 69.46 -5.22 1.18 Allowed 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.457 1.103 . . . . 25.0 112.805 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 C--O 1.25 1.084 0 CA-C-O 117.958 -1.02 . . . . 25.0 110.622 178.266 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.545 -0.222 . . . . 25.0 112.545 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 18.1 t -104.42 131.06 22.24 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-O 119.521 -0.276 . . . . 25.0 111.064 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.98 135.38 25.26 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.421 2.08 . . . . 25.0 113.408 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -116.98 47.34 1.04 Allowed Glycine 0 C--N 1.337 0.633 0 CA-C-N 115.788 -0.642 . . . . 25.0 112.651 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 60.43 118.78 0.02 OUTLIER Pre-proline 0 N--CA 1.485 1.305 0 C-N-CA 124.164 0.985 . . . . 25.0 112.187 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.27 142.1 29.87 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.153 1.902 . . . . 25.0 113.158 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . 0.438 ' HA ' ' CD1' ' B' ' 528' ' ' LEU . 72.0 m-80 -118.23 140.23 50.11 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.998 -0.546 . . . . 25.0 111.48 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 123.99 -47.99 0.98 Allowed Glycine 0 C--N 1.339 0.719 0 CA-C-N 115.977 -0.556 . . . . 25.0 113.059 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 57.8 mt -116.19 37.15 3.78 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.121 0.486 . . . . 25.0 111.636 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' B' ' 525' ' ' ASN . 2.2 mt -80.46 2.24 25.99 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.046 -0.524 . . . . 25.0 111.77 -176.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 81.2 p -128.73 17.77 6.28 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.286 -0.415 . . . . 25.0 111.539 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -103.75 -77.7 1.2 Allowed Glycine 0 C--N 1.341 0.828 0 CA-C-N 116.227 -0.442 . . . . 25.0 112.921 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -135.96 34.09 2.87 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.531 0.681 . . . . 25.0 110.16 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . 0.47 ' HA ' ' OG ' ' B' ' 535' ' ' SER . 70.8 mm-40 -97.85 -3.22 39.16 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.188 -0.914 . . . . 25.0 113.037 -174.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -75.96 -42.37 48.68 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.553 -0.749 . . . . 25.0 111.468 -176.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . 0.501 ' O ' ' HB3' ' B' ' 538' ' ' ALA . 0.3 OUTLIER -88.94 -12.87 40.38 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 123.226 0.329 . . . . 25.0 111.476 178.287 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . 0.47 ' OG ' ' HA ' ' B' ' 532' ' ' GLU . 84.7 p -79.75 -15.94 56.55 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.04 -0.527 . . . . 25.0 111.145 177.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 55.3 m -90.74 -49.71 6.31 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.997 -0.547 . . . . 25.0 111.444 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.4 mt -86.97 -49.52 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 123.219 0.325 . . . . 25.0 111.817 -174.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' B' ' 534' ' ' PHE . . . -74.75 -10.24 59.33 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -175.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . 0.535 ' OD2' ' HE2' ' A' ' 667' ' ' LYS . 97.9 m-20 -97.25 -14.17 21.55 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.288 -0.869 . . . . 25.0 110.14 174.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 80.6 mtp -89.07 -28.51 20.07 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.099 -0.501 . . . . 25.0 111.276 172.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -93.11 -22.32 19.16 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.808 -0.633 . . . . 25.0 112.628 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . 0.486 ' HB2' ' O ' ' B' ' 538' ' ' ALA . 44.8 t80 -72.4 -30.17 64.41 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 111.496 0.184 . . . . 25.0 111.496 -176.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 93.6 p -81.92 -28.84 32.6 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.22 -0.445 . . . . 25.0 111.021 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -79.04 -28.29 43.21 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.795 -0.639 . . . . 25.0 111.428 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 612' ' ' PHE . 76.6 mt -83.45 -20.13 34.61 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.242 0.617 . . . . 25.0 110.927 173.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' B' ' 546' ' ' LEU . 7.4 mt -76.6 -30.96 57.18 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.597 -0.729 . . . . 25.0 110.739 177.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.6 p -76.96 -16.3 59.39 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.718 -0.674 . . . . 25.0 112.065 175.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 90.7 mm-40 -76.18 -16.35 59.87 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.492 0.552 . . . . 25.0 112.492 -177.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 38.3 pt -104.69 -17.42 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-N 116.174 -0.467 . . . . 25.0 112.104 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 87.1 p -100.83 -29.87 12.01 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.406 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 117.993 -1.003 . . . . 25.0 112.032 -179.346 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.562 -0.215 . . . . 25.0 112.562 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 91.9 t -90.32 133.84 31.0 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-O 120.823 0.344 . . . . 25.0 111.189 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -92.27 129.96 38.08 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.623 -0.717 . . . . 25.0 111.222 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -119.14 124.78 47.68 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.958 -0.565 . . . . 25.0 111.332 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -82.29 -27.53 43.81 Favored Glycine 0 C--N 1.34 0.75 0 CA-C-N 115.499 -0.773 . . . . 25.0 112.986 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.506 ' HZ3' ' CD1' ' A' ' 640' ' ' TYR . 68.8 p-90 -84.39 -33.84 23.69 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.258 0.623 . . . . 25.0 112.271 -177.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -68.32 -35.46 77.83 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.54 0.336 . . . . 25.0 111.62 -177.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -86.1 -12.37 50.22 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.236 0.335 . . . . 25.0 111.462 177.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -97.49 -26.6 14.77 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.763 -0.653 . . . . 25.0 111.36 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.67 ' HA ' HD12 ' A' ' 599' ' ' LEU . 74.3 t -87.6 127.3 40.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 109.722 -0.473 . . . . 25.0 109.722 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 42.9 p -108.1 -179.99 4.05 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.516 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -76.76 -18.59 58.37 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.881 -0.599 . . . . 25.0 110.215 170.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . 0.492 ' O ' ' CD2' ' A' ' 602' ' ' HIS . 72.2 m-20 -85.13 -31.42 23.31 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.84 -0.618 . . . . 25.0 111.227 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 595' ' ' VAL . 31.8 mt -65.4 -47.22 77.07 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 111.677 0.251 . . . . 25.0 111.677 175.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -57.6 -32.48 67.24 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.803 0.441 . . . . 25.0 111.733 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.4 p -73.43 -27.8 61.63 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.6 -0.727 . . . . 25.0 111.386 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 598' ' ' ASP . 90.6 m-70 -86.36 -21.23 27.33 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.864 177.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.2 -36.84 54.57 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.119 0.568 . . . . 25.0 109.994 175.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 48.3 t -71.27 -37.24 65.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.281 1.032 . . . . 25.0 110.465 172.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -73.71 -17.75 61.08 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 123.302 0.376 . . . . 25.0 110.592 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -85.5 -22.32 28.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.504 -0.771 . . . . 25.0 109.244 175.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.459 HD23 HG13 ' A' ' 657' ' ' ILE . 9.4 mt -86.13 -39.26 16.9 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.235 -1.348 . . . . 25.0 111.378 -178.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.4 t -73.83 -26.4 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 122.975 0.51 . . . . 25.0 111.381 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -81.76 -26.75 34.22 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.533 0.206 . . . . 25.0 111.396 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -80.47 -32.47 37.12 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.863 -0.608 . . . . 25.0 111.679 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.45 HG12 HG21 ' A' ' 660' ' ' ILE . 98.8 mt -77.68 -53.36 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 109.848 -0.427 . . . . 25.0 109.848 178.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.409 ' CG ' HD13 ' B' ' 545' ' ' LEU . 58.6 t80 -138.19 106.08 7.95 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 110.14 -0.318 . . . . 25.0 110.14 173.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -66.46 136.29 42.53 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 122.422 2.081 . . . . 25.0 112.195 173.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 44.7 p -105.54 114.45 63.11 Favored Pre-proline 0 C--O 1.236 0.385 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 -175.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -60.73 -51.03 5.43 Favored 'Trans proline' 0 C--N 1.369 1.656 0 C-N-CA 123.349 2.7 . . . . 25.0 112.521 166.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 36.4 t0 -104.12 122.98 42.32 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 114.763 -1.108 . . . . 25.0 111.273 178.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 55.4 Cg_endo -61.34 -10.11 14.9 Favored 'Trans proline' 0 C--N 1.377 2.065 0 C-N-CA 122.956 2.437 . . . . 25.0 114.108 174.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.51 -8.27 56.85 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.52 -8.18 59.69 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 88.7 mt -82.17 -9.24 59.58 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.142 -0.481 . . . . 25.0 112.087 -176.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -105.53 14.47 28.52 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 121.042 0.449 . . . . 25.0 110.226 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -85.9 163.84 17.82 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.894 -0.593 . . . . 25.0 111.046 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -78.76 -52.19 8.72 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.987 -0.551 . . . . 25.0 111.6 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -62.99 -27.96 69.77 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 54.8 tpp -76.0 -38.56 57.22 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.765 0.426 . . . . 25.0 110.731 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.03 -20.36 65.86 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.356 0.663 . . . . 25.0 112.211 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -70.65 -42.02 71.36 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 122.764 0.426 . . . . 25.0 111.988 -176.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 95.7 mt -86.32 -21.85 27.06 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.945 0.153 . . . . 25.0 110.875 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.427 HG12 ' HD2' ' A' ' 633' ' ' LYS . 3.2 t -55.01 -32.88 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 166.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -79.94 -18.83 49.45 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.649 -1.16 . . . . 25.0 111.63 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.508 ' O ' ' HB3' ' A' ' 634' ' ' LYS . 38.4 t80 -75.09 -42.23 57.15 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.43 170.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.47 -24.58 29.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.364 -0.38 . . . . 25.0 111.942 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.427 ' HD2' HG12 ' A' ' 629' ' ' VAL . 62.1 mttt -71.39 -19.04 62.32 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.436 0.636 . . . . 25.0 110.164 172.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 631' ' ' TYR . 15.4 ttpt -79.05 -47.63 15.85 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 114.405 -1.27 . . . . 25.0 111.952 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 29.7 m -72.99 -37.49 53.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 114.312 1.227 . . . . 25.0 114.312 -159.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -53.36 -31.76 46.12 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -70.42 -19.73 76.37 Favored Glycine 0 C--N 1.347 1.155 0 O-C-N 123.379 0.424 . . . . 25.0 113.31 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -86.19 -19.39 30.12 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 122.807 0.443 . . . . 25.0 110.592 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.626 ' HG2' ' HB2' ' A' ' 652' ' ' LEU . 15.8 mtt -80.54 -22.09 41.15 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.16 -0.473 . . . . 25.0 111.992 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.506 ' CD1' ' HZ3' ' A' ' 591' ' ' TRP . 44.2 t80 -77.87 -29.3 50.26 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.091 -0.504 . . . . 25.0 111.536 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -89.05 -25.69 21.81 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.067 -0.515 . . . . 25.0 112.076 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.2 m -91.62 -46.0 8.17 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.449 0.537 . . . . 25.0 112.449 -174.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.48 152.1 27.5 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 -177.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -115.9 -12.84 11.35 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.637 -0.71 . . . . 25.0 112.123 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 55.4 p -132.18 -178.81 5.07 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 123.054 0.221 . . . . 25.0 111.288 -177.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -81.26 -36.4 29.97 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 122.492 0.317 . . . . 25.0 111.338 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -78.64 -21.59 48.16 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.358 0.411 . . . . 25.0 111.356 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -86.2 -40.01 16.04 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.293 0.37 . . . . 25.0 110.246 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -56.44 -52.61 64.02 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.27 0.628 . . . . 25.0 111.534 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.53 ' HA ' HD23 ' A' ' 653' ' ' LEU . 19.7 m-85 -67.22 -15.7 63.85 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 112.772 0.656 . . . . 25.0 112.772 177.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -79.63 -36.01 38.54 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.343 0.498 . . . . 25.0 112.343 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.626 ' HB2' ' HG2' ' A' ' 639' ' ' MET . 80.6 mt -66.58 -26.15 66.97 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 177.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.551 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -84.6 -30.82 24.66 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.636 0.374 . . . . 25.0 111.634 178.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.86 -32.98 57.89 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 122.64 0.376 . . . . 25.0 111.82 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -74.73 -25.93 59.45 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 111.832 0.308 . . . . 25.0 111.832 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 652' ' ' LEU . 62.4 mttp -73.02 -26.25 61.25 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-O 121.214 0.531 . . . . 25.0 109.928 171.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.459 HG13 HD23 ' A' ' 607' ' ' LEU . 5.0 mt -74.42 -28.81 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 114.746 -1.115 . . . . 25.0 110.744 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -85.24 -33.73 22.14 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.609 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -71.5 -31.48 67.14 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.45 HG21 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -76.79 -31.45 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 CA-C-N 116.172 -0.467 . . . . 25.0 109.893 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -66.83 -20.1 65.87 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.359 -0.837 . . . . 25.0 112.286 173.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 665' ' ' GLU . 59.7 tttm -77.77 -39.55 43.73 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.276 0.472 . . . . 25.0 112.276 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -71.69 -37.39 70.71 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.704 0.402 . . . . 25.0 112.041 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.66 -19.77 65.91 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.943 -0.571 . . . . 25.0 112.482 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' A' ' 662' ' ' LYS . 64.9 mt-10 -68.52 -17.89 64.26 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.749 0.42 . . . . 25.0 112.078 178.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -74.16 -26.73 60.47 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.7 0.4 . . . . 25.0 111.252 174.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 667' ' ' LYS . 1.0 OUTLIER -86.41 -24.24 25.8 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.968 -0.56 . . . . 25.0 111.333 176.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -84.29 -27.44 27.84 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 116.099 -0.5 . . . . 25.0 111.592 -176.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -91.33 -13.11 33.14 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.212 0.32 . . . . 25.0 111.812 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 78.8 p -98.61 -23.17 15.59 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.601 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -97.64 -29.63 13.31 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.429 -0.351 . . . . 25.0 111.285 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 80.9 mt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.015 -0.993 . . . . 25.0 110.94 -178.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.501 -0.24 . . . . 25.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 11.2 t 57.4 94.88 0.05 OUTLIER Pre-proline 0 N--CA 1.484 1.258 0 C-N-CA 124.013 0.925 . . . . 25.0 111.983 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.92 -29.44 49.56 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.791 2.328 . . . . 25.0 113.377 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 144.36 131.04 2.38 Favored Glycine 0 C--N 1.34 0.782 0 CA-C-N 116.181 -0.463 . . . . 25.0 112.266 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -117.39 83.84 17.18 Favored Pre-proline 0 CA--C 1.551 1.009 0 N-CA-C 110.449 -0.204 . . . . 25.0 110.449 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -77.35 -15.04 16.09 Favored 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 122.791 2.327 . . . . 25.0 113.317 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 57.6 t30 63.95 -79.55 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.305 1.042 . . . . 25.0 111.309 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 74.76 124.79 0.14 Allowed Glycine 0 C--N 1.346 1.124 0 C-N-CA 121.717 -0.277 . . . . 25.0 113.25 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 92.8 mt -99.52 22.08 11.29 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 112.112 0.412 . . . . 25.0 112.112 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 96.9 mt -76.27 -4.11 40.2 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.436 0.636 . . . . 25.0 109.747 174.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 47.2 t -161.2 99.36 1.19 Allowed 'General case' 0 C--O 1.238 0.451 0 CA-C-N 114.863 -1.062 . . . . 25.0 109.354 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -104.95 -93.75 2.32 Favored Glycine 0 C--N 1.338 0.683 0 C-N-CA 121.074 -0.584 . . . . 25.0 113.266 -175.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -133.84 -3.95 2.86 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.672 0.272 . . . . 25.0 111.37 -176.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -113.34 -5.15 13.58 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.075 0.464 . . . . 25.0 111.873 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -92.06 -23.04 19.61 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.034 -0.985 . . . . 25.0 111.766 -176.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -80.35 -12.53 59.58 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 120.7 0.285 . . . . 25.0 111.587 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 99.4 p -69.34 -16.91 63.64 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.728 -0.669 . . . . 25.0 111.845 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 78.9 p -89.33 -24.7 21.94 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.92 -0.582 . . . . 25.0 110.885 175.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 94.4 mt -86.4 -26.37 6.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.262 -0.881 . . . . 25.0 111.195 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.79 -17.47 47.46 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.4 0.889 . . . . 25.0 113.4 -173.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -93.84 -17.68 22.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.379 174.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 87.6 mtp -85.23 -33.08 22.29 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.827 -1.079 . . . . 25.0 110.137 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -86.07 -20.16 29.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.349 -0.841 . . . . 25.0 111.885 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -74.59 -29.92 61.5 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.578 0.228 . . . . 25.0 110.959 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 96.8 p -82.11 -23.39 35.72 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.463 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . 0.506 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.21 -23.71 30.39 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.224 -0.444 . . . . 25.0 112.058 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.409 HD13 ' CG ' ' A' ' 612' ' ' PHE . 50.3 mt -78.87 -18.49 53.84 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.879 0.471 . . . . 25.0 112.163 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 90.5 mt -85.75 -28.9 24.28 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.907 0.384 . . . . 25.0 110.608 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.9 p -75.8 -16.17 60.14 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.191 -0.913 . . . . 25.0 112.143 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 71.9 mm-40 -76.69 -25.79 54.02 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.479 0.548 . . . . 25.0 112.479 -178.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 78.8 mt -99.69 -27.66 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 115.354 -0.839 . . . . 25.0 112.385 -178.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 70.0 p -95.81 -33.34 12.29 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.241 0.338 . . . . 25.0 111.81 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 N--CA 1.483 1.195 0 C-N-CA 123.959 0.904 . . . . 25.0 111.88 -179.74 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 112.574 -0.211 . . . . 25.0 112.574 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 59.6 t -90.36 134.62 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 110.21 -0.292 . . . . 25.0 110.21 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -92.0 133.12 36.01 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.859 -0.61 . . . . 25.0 111.408 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.474 ' HB2' ' HD2' ' A' ' 592' ' ' HIS . 99.1 mttt -115.27 124.65 51.88 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.888 -0.596 . . . . 25.0 111.54 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -82.83 -27.44 41.75 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 115.493 -0.776 . . . . 25.0 112.885 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -84.55 -27.86 27.04 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.167 0.587 . . . . 25.0 112.522 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . 0.474 ' HD2' ' HB2' ' A' ' 589' ' ' LYS . 0.0 OUTLIER -73.47 -13.56 61.08 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.103 0.252 . . . . 25.0 111.198 175.443 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -81.82 -32.5 31.21 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.064 0.394 . . . . 25.0 112.064 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -99.16 -23.12 15.35 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.475 0.546 . . . . 25.0 112.475 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 76.9 t -80.3 125.04 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 109.557 -0.535 . . . . 25.0 109.557 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 73.3 p -112.51 -176.0 2.81 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.347 -0.842 . . . . 25.0 111.463 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -76.08 -17.87 59.44 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.869 -0.605 . . . . 25.0 110.065 168.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.68 -35.07 27.15 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 115.86 -0.609 . . . . 25.0 111.928 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.603 HD21 ' OH ' ' A' ' 650' ' ' TYR . 26.8 tp -64.76 -47.24 78.89 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 111.559 0.207 . . . . 25.0 111.559 174.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -59.48 -23.61 62.9 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.446 0.536 . . . . 25.0 112.446 -176.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 94.9 p -83.84 -27.83 28.45 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.135 -0.484 . . . . 25.0 111.024 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -85.31 -22.45 28.52 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 122.767 0.427 . . . . 25.0 110.663 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 24.7 mt -73.96 -34.8 64.39 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.646 -0.706 . . . . 25.0 109.669 173.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 19.9 t -76.39 -34.24 24.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-N 114.7 -1.137 . . . . 25.0 110.794 172.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -70.94 -17.11 62.69 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.925 0.393 . . . . 25.0 110.297 174.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -82.93 -24.1 33.2 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.192 -0.913 . . . . 25.0 109.151 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.463 HD11 HD22 ' A' ' 653' ' ' LEU . 19.8 mt -86.86 -47.59 8.9 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.142 -1.39 . . . . 25.0 111.46 -176.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 63.7 t -65.25 -24.06 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.759 0.824 . . . . 25.0 111.504 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -84.97 -29.67 24.87 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.476 0.179 . . . . 25.0 111.262 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.5 -23.61 50.26 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.559 174.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 90.0 mt -85.42 -55.59 6.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 116.077 -0.51 . . . . 25.0 109.659 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.506 ' CZ ' ' HB3' ' B' ' 545' ' ' LEU . 81.7 t80 -138.14 102.67 8.2 Favored Pre-proline 0 CA--C 1.55 0.967 0 CA-C-N 116.54 -0.3 . . . . 25.0 110.473 175.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -77.17 135.48 15.28 Favored 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.577 2.185 . . . . 25.0 112.354 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 2.5 t -152.02 127.0 4.71 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -50.92 -51.51 11.04 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 123.953 3.102 . . . . 25.0 114.355 172.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 50.1 t0 -74.66 116.52 54.25 Favored Pre-proline 0 N--CA 1.472 0.648 0 CA-C-N 115.657 -0.702 . . . . 25.0 112.359 -177.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 58.4 Cg_endo -65.67 -10.26 25.83 Favored 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 122.821 2.348 . . . . 25.0 113.766 172.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -73.73 -8.36 55.69 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.706 0.632 . . . . 25.0 112.706 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -82.02 -17.28 47.35 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 122.612 0.365 . . . . 25.0 111.908 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 88.8 mt -82.98 -3.4 57.14 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.19 -0.459 . . . . 25.0 112.078 -177.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -105.15 14.44 29.14 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.043 0.449 . . . . 25.0 110.399 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -84.94 153.49 22.79 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.773 -0.649 . . . . 25.0 110.754 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -78.65 -38.84 38.61 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.453 -0.794 . . . . 25.0 110.86 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -73.8 -21.05 60.29 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 114.939 -1.028 . . . . 25.0 112.267 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -89.54 -36.54 15.29 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.312 0.382 . . . . 25.0 111.257 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -55.52 -20.54 13.33 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.278 0.631 . . . . 25.0 112.644 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.92 -38.56 83.07 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 111.85 0.315 . . . . 25.0 111.85 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 1.6 mt -87.04 -27.83 22.96 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 123.174 0.296 . . . . 25.0 111.151 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 72.1 t -58.25 -39.18 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 170.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -75.24 -18.64 60.06 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.876 -1.056 . . . . 25.0 111.4 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -77.74 -38.03 47.89 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.249 -0.887 . . . . 25.0 110.368 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -84.25 -21.46 31.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.841 -0.618 . . . . 25.0 111.811 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -60.91 -29.87 69.85 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.919 0.488 . . . . 25.0 112.188 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -85.26 -40.13 16.95 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.791 -0.641 . . . . 25.0 111.613 -175.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.652 ' O ' ' HG2' ' A' ' 639' ' ' MET . 98.0 t -66.98 -26.08 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 116.186 -0.461 . . . . 25.0 112.052 -171.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -68.46 -35.52 77.68 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 122.8 0.44 . . . . 25.0 110.601 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -84.87 -21.96 54.28 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.874 -0.603 . . . . 25.0 113.269 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -77.28 -19.46 56.46 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 122.698 0.399 . . . . 25.0 110.701 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.652 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 39.4 mmt -78.19 -20.75 51.26 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.692 -0.686 . . . . 25.0 111.908 177.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.522 ' CD1' ' C ' ' A' ' 640' ' ' TYR . 0.0 OUTLIER -74.18 -31.87 62.84 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.897 -0.592 . . . . 25.0 111.309 -178.302 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.41 -21.94 24.01 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.262 -0.426 . . . . 25.0 111.77 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 92.7 p -92.79 -30.57 15.42 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.321 0.388 . . . . 25.0 112.022 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -99.24 143.01 29.99 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.207 0.317 . . . . 25.0 111.478 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -110.88 -10.17 14.42 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.889 -0.596 . . . . 25.0 111.867 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 67.6 m -132.26 158.78 40.92 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.361 -0.381 . . . . 25.0 110.628 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -72.01 -25.41 61.81 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.899 0.703 . . . . 25.0 112.899 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 99.1 m-20 -81.58 -24.33 36.56 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.241 0.338 . . . . 25.0 111.066 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -86.37 -39.21 16.65 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.312 0.383 . . . . 25.0 110.181 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -58.21 -50.73 72.53 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.405 0.682 . . . . 25.0 111.429 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.603 ' OH ' HD21 ' A' ' 599' ' ' LEU . 19.4 m-85 -76.4 -16.12 59.78 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.169 0.803 . . . . 25.0 113.169 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 86.1 t60 -83.23 -44.17 15.29 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 111.676 0.251 . . . . 25.0 111.676 -176.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.624 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 82.7 mt -54.64 -38.04 66.39 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.493 0.717 . . . . 25.0 112.615 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.463 HD22 HD11 ' A' ' 607' ' ' LEU . 95.0 mt -72.36 -34.74 68.2 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.711 -0.677 . . . . 25.0 111.677 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -72.52 -23.61 61.03 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.308 0.38 . . . . 25.0 110.875 174.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -72.56 -38.18 68.01 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.703 -0.681 . . . . 25.0 111.863 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -67.62 -28.62 67.89 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 173.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 26.3 mt -71.62 -28.4 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 115.286 -0.87 . . . . 25.0 110.79 -176.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -84.47 -37.42 21.37 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.136 -0.484 . . . . 25.0 110.693 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -75.56 -30.37 59.66 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 123.486 0.491 . . . . 25.0 112.156 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 75.3 mt -71.64 -28.98 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 174.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -78.21 -19.58 53.53 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.477 -0.783 . . . . 25.0 112.143 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -80.56 -43.11 21.19 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.556 0.342 . . . . 25.0 111.455 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.91 -43.03 80.17 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 -174.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.58 -22.25 61.5 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 112.104 0.409 . . . . 25.0 112.104 172.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -86.59 -19.16 29.79 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 122.684 0.394 . . . . 25.0 111.055 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -77.11 -25.05 51.75 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 122.648 0.379 . . . . 25.0 111.597 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm -83.8 -17.73 40.09 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.2 -0.454 . . . . 25.0 111.23 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -75.48 -28.95 59.43 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.745 -0.661 . . . . 25.0 111.317 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -91.38 -7.84 49.65 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 111.972 0.36 . . . . 25.0 111.972 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 89.7 p -87.25 -38.67 16.11 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.563 0.579 . . . . 25.0 112.563 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -117.63 -81.39 0.62 Allowed 'General case' 0 CA--C 1.537 0.448 0 O-C-N 123.031 0.207 . . . . 25.0 111.54 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--O 1.251 1.167 0 C-N-CA 122.984 0.514 . . . . 25.0 112.301 178.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.515 -0.234 . . . . 25.0 112.515 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 33.8 t -103.55 133.53 20.24 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-O 119.489 -0.291 . . . . 25.0 111.047 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -71.9 131.03 17.6 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 122.355 2.037 . . . . 25.0 113.434 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 113.45 107.36 2.8 Favored Glycine 0 C--N 1.338 0.661 0 CA-C-N 115.786 -0.643 . . . . 25.0 112.569 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 56.76 93.13 0.05 OUTLIER Pre-proline 0 N--CA 1.485 1.291 0 C-N-CA 123.827 0.851 . . . . 25.0 111.964 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -64.1 -47.17 6.8 Favored 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 122.685 2.257 . . . . 25.0 113.303 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -146.63 -41.14 0.2 Allowed 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.159 0.287 . . . . 25.0 111.686 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 107.43 154.4 19.05 Favored Glycine 0 C--N 1.342 0.901 0 O-C-N 123.427 0.454 . . . . 25.0 112.679 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 95.7 mt -119.65 16.75 12.82 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 120.782 0.325 . . . . 25.0 111.461 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.41 -3.64 15.17 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 121.275 0.559 . . . . 25.0 110.6 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 28.9 t -159.1 108.35 1.91 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.241 -0.89 . . . . 25.0 109.609 -178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -160.92 -65.8 0.02 OUTLIER Glycine 0 C--N 1.336 0.529 0 C-N-CA 121.059 -0.591 . . . . 25.0 113.0 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -130.95 -0.1 4.21 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.769 0.319 . . . . 25.0 110.908 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -95.07 -5.06 45.18 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.024 -0.534 . . . . 25.0 112.417 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -90.92 -28.87 17.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.115 -0.948 . . . . 25.0 111.979 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -89.28 -20.13 24.48 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.904 0.482 . . . . 25.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 96.7 p -73.95 -20.35 60.39 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.881 0.697 . . . . 25.0 112.881 -174.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 81.0 p -89.35 -36.18 15.67 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.22 0.452 . . . . 25.0 112.22 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.7 mt -87.24 -30.29 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 -176.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -80.12 -10.99 59.8 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.905 0.706 . . . . 25.0 112.905 -175.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -102.1 0.94 35.67 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.271 -0.877 . . . . 25.0 109.515 173.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 87.5 mtp -98.75 -31.15 12.04 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.169 -0.923 . . . . 25.0 110.79 173.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -89.74 -19.97 24.13 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.082 0.553 . . . . 25.0 112.437 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -72.19 -24.73 61.46 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.225 0.21 . . . . 25.0 111.346 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 83.7 p -81.89 -29.39 32.44 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.167 -0.47 . . . . 25.0 111.512 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -79.12 -28.94 42.96 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.205 -0.452 . . . . 25.0 111.406 178.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 612' ' ' PHE . 87.4 mt -84.85 -14.75 46.99 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.696 -0.684 . . . . 25.0 111.148 174.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 44.8 tp -81.72 -30.14 32.63 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.258 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.4 p -76.0 -16.18 60.01 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.047 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -74.26 -21.75 59.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.997 0.519 . . . . 25.0 112.255 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 89.4 mt -90.74 -28.34 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 115.192 -0.913 . . . . 25.0 110.696 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 81.0 p -92.27 -41.85 10.17 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.521 -0.309 . . . . 25.0 111.783 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 37.7 p . . . . . 0 C--O 1.249 1.073 0 CA-C-O 117.985 -1.007 . . . . 25.0 110.979 179.762 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.15 0 N-CA-C 112.451 -0.259 . . . . 25.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 56.7 t -90.42 140.76 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 109.961 -0.385 . . . . 25.0 109.961 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -92.13 122.79 34.96 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.024 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -139.05 155.63 47.8 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.557 -0.747 . . . . 25.0 111.122 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -79.94 -18.95 71.27 Favored Glycine 0 C--N 1.342 0.906 0 CA-C-N 115.454 -0.794 . . . . 25.0 114.137 -177.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -84.45 -35.58 22.92 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.949 0.374 . . . . 25.0 111.299 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . 0.466 ' CD2' ' C ' ' A' ' 592' ' ' HIS . 1.7 t-160 -63.84 -38.42 91.03 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.608 0.763 . . . . 25.0 112.161 -177.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -88.35 -8.7 54.66 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.779 0.323 . . . . 25.0 111.588 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -96.9 -25.99 15.23 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.783 -0.644 . . . . 25.0 111.419 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.532 HG13 HD23 ' A' ' 599' ' ' LEU . 32.3 t -82.34 136.28 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-O 120.884 0.374 . . . . 25.0 110.478 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.0 p -107.77 -179.93 4.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.434 -0.803 . . . . 25.0 111.573 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.09 -18.44 55.71 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.83 -0.623 . . . . 25.0 110.096 169.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -83.04 -25.41 32.15 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.765 -0.652 . . . . 25.0 111.252 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.532 HD23 HG13 ' A' ' 595' ' ' VAL . 38.0 tp -66.24 -50.96 61.99 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 122.907 0.129 . . . . 25.0 111.286 174.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -56.35 -31.25 63.59 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.065 0.546 . . . . 25.0 111.974 -175.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.6 p -77.97 -27.9 49.26 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.263 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -84.03 -20.91 31.93 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.05 -0.523 . . . . 25.0 110.681 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 50.5 mt -78.25 -36.13 47.28 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.429 0.691 . . . . 25.0 109.636 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 608' ' ' VAL . 48.1 t -72.21 -37.59 59.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-N 114.85 -1.068 . . . . 25.0 110.604 171.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.599 ' HA ' HG22 ' A' ' 608' ' ' VAL . 85.9 t60 -72.3 -16.78 61.9 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.243 0.339 . . . . 25.0 110.482 175.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.83 -22.45 29.46 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.276 174.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.561 HD23 ' HB1' ' A' ' 632' ' ' ALA . 3.8 tp -86.67 -45.04 11.36 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 114.198 -1.364 . . . . 25.0 111.518 -178.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.599 HG22 ' HA ' ' A' ' 605' ' ' HIS . 33.8 m -69.12 -26.54 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 123.583 0.753 . . . . 25.0 111.649 -177.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -81.68 -37.01 28.1 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.908 0.385 . . . . 25.0 110.686 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.35 72.47 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.249 -0.887 . . . . 25.0 111.719 175.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.617 HG21 HD21 ' A' ' 628' ' ' LEU . 91.7 mt -84.23 -49.45 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 176.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' A' ' 612' ' ' PHE . 26.2 p90 -141.32 106.85 6.09 Favored Pre-proline 0 CA--C 1.552 1.055 0 O-C-N 123.291 0.369 . . . . 25.0 110.599 174.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -75.98 139.41 21.81 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.444 2.096 . . . . 25.0 112.479 173.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 27.4 m -153.17 129.07 5.2 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 116.298 -0.41 . . . . 25.0 111.782 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -48.61 -58.04 1.99 Allowed 'Trans proline' 0 C--N 1.371 1.729 0 C-N-CA 123.827 3.018 . . . . 25.0 114.242 173.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 38.8 t0 -89.8 116.62 66.8 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.945 -0.57 . . . . 25.0 111.812 -178.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 55.5 Cg_endo -64.42 -10.41 23.96 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.791 2.327 . . . . 25.0 114.233 174.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.61 -10.87 59.81 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -177.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.622 ' HB1' HD11 ' B' ' 545' ' ' LEU . . . -84.77 -14.77 47.17 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 111.908 0.336 . . . . 25.0 111.908 178.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 620' ' ' LEU . 3.1 mt -85.2 3.9 37.14 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.067 -0.515 . . . . 25.0 112.173 -176.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -96.63 15.21 22.37 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.01 0.433 . . . . 25.0 110.994 -176.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -76.88 165.96 23.99 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.738 -0.664 . . . . 25.0 111.598 -174.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -71.74 -55.04 8.39 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 122.754 0.422 . . . . 25.0 111.923 -175.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -71.02 -19.74 62.47 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.02 0.528 . . . . 25.0 112.102 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.5 ttm -79.1 -36.83 40.08 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.603 0.361 . . . . 25.0 111.261 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -54.52 -20.23 7.38 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -73.52 -31.84 63.91 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 122.438 0.295 . . . . 25.0 111.686 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.617 HD21 HG21 ' A' ' 611' ' ' ILE . 21.1 tp -86.2 -32.98 20.91 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 122.7 0.4 . . . . 25.0 110.485 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.62 -35.77 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.076 0.55 . . . . 25.0 110.144 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -80.6 -19.08 46.3 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.245 -0.889 . . . . 25.0 111.782 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -41.75 67.85 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.219 -0.446 . . . . 25.0 110.301 170.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.561 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -83.33 -24.71 32.0 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.753 -177.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -73.74 -22.39 59.89 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.105 -0.498 . . . . 25.0 110.727 175.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -85.56 -36.08 20.67 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.213 -0.903 . . . . 25.0 111.561 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 39.7 t -73.8 -42.83 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 112.275 0.472 . . . . 25.0 112.275 -174.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -55.96 -31.85 63.33 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.762 0.825 . . . . 25.0 112.295 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -76.44 -19.15 78.51 Favored Glycine 0 C--N 1.344 0.983 0 O-C-N 123.38 0.425 . . . . 25.0 113.278 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -84.68 -19.47 32.78 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 122.666 0.386 . . . . 25.0 111.078 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.782 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 20.9 mtm -74.88 -20.85 59.56 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 178.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -79.13 -32.08 44.34 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.154 -0.476 . . . . 25.0 111.202 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -89.1 -26.5 21.32 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.072 -0.513 . . . . 25.0 112.177 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 m -88.86 -46.38 8.98 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 -174.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -83.77 153.08 24.31 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -114.22 -14.16 12.31 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.71 -0.677 . . . . 25.0 111.935 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.2 p -132.07 161.22 33.77 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.289 0.368 . . . . 25.0 110.438 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -74.36 -23.86 59.07 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.994 -0.548 . . . . 25.0 112.05 -174.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -81.3 -25.7 36.29 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.179 0.3 . . . . 25.0 111.472 176.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -85.58 -41.58 15.13 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.147 -0.479 . . . . 25.0 110.126 176.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . 0.433 ' HD1' ' O ' ' A' ' 639' ' ' MET . 79.1 t80 -56.98 -49.73 74.84 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.544 0.738 . . . . 25.0 111.29 178.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -66.41 -15.64 63.47 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -82.64 -42.99 17.49 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 -175.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.53 -22.56 61.84 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.2 0.444 . . . . 25.0 112.2 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.782 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 1.0 OUTLIER -87.67 -36.28 17.52 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.897 0.479 . . . . 25.0 110.918 177.663 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.19 -21.9 60.58 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.943 -0.571 . . . . 25.0 111.5 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -75.17 -38.37 60.9 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.042 -0.526 . . . . 25.0 112.143 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -68.65 -28.05 66.54 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.542 -0.54 . . . . 25.0 109.542 172.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 17.7 mt -72.59 -41.38 63.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 115.535 -0.757 . . . . 25.0 110.711 -176.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -78.25 -26.3 47.17 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 120.957 0.408 . . . . 25.0 110.416 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -78.07 -35.28 49.71 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 115.145 -0.934 . . . . 25.0 112.215 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 96.7 mt -80.22 -31.68 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 110.248 -0.279 . . . . 25.0 110.248 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.16 -19.14 64.21 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.862 -0.608 . . . . 25.0 112.276 174.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.05 -41.55 95.07 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.076 0.55 . . . . 25.0 111.946 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -71.94 -39.85 69.15 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 123.389 0.431 . . . . 25.0 111.234 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.33 -21.45 65.66 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.929 -0.578 . . . . 25.0 112.296 173.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -70.87 -26.32 63.2 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.781 0.432 . . . . 25.0 111.587 -176.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -78.48 -26.81 46.15 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.2 0.312 . . . . 25.0 110.662 173.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -86.62 -17.71 33.22 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.549 -0.75 . . . . 25.0 111.162 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -78.46 -27.25 46.34 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 122.722 0.409 . . . . 25.0 111.196 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -91.53 -10.1 41.94 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.293 -0.412 . . . . 25.0 111.785 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 99.4 p -88.74 -36.64 16.02 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.076 0.398 . . . . 25.0 112.076 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -84.98 -21.33 29.56 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--O 1.248 1.021 0 CA-C-O 117.972 -1.013 . . . . 25.0 110.949 -174.512 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.442 -0.263 . . . . 25.0 112.442 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 42.0 t -118.4 131.36 24.27 Favored Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 123.642 0.26 . . . . 25.0 110.763 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -72.8 141.22 33.4 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.387 2.058 . . . . 25.0 113.348 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 142.05 137.32 3.35 Favored Glycine 0 C--N 1.337 0.593 0 CA-C-N 115.835 -0.62 . . . . 25.0 112.497 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -125.32 120.4 24.97 Favored Pre-proline 0 CA--C 1.546 0.802 0 CA-C-O 119.572 -0.251 . . . . 25.0 110.463 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.53 147.18 28.13 Favored 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 122.267 1.978 . . . . 25.0 113.309 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -104.81 -34.58 8.04 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.914 -0.585 . . . . 25.0 111.849 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 109.02 -176.51 19.84 Favored Glycine 0 C--N 1.342 0.88 0 C-N-CA 121.423 -0.418 . . . . 25.0 113.337 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . 0.502 ' C ' ' H ' ' B' ' 529' ' ' SER . 85.0 mt -129.74 -164.99 1.47 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.715 0.406 . . . . 25.0 110.715 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 82.2 mt 66.56 -18.93 0.11 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.796 1.238 . . . . 25.0 112.314 -177.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . 0.502 ' H ' ' C ' ' B' ' 527' ' ' LEU . 47.1 t -134.54 66.54 1.53 Allowed 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.545 0.688 . . . . 25.0 109.661 176.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -96.56 39.4 2.82 Favored Glycine 0 C--N 1.34 0.802 0 CA-C-N 115.302 -0.863 . . . . 25.0 113.083 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -129.44 -2.2 4.94 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.879 0.371 . . . . 25.0 110.908 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -94.2 -5.04 47.91 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.594 -0.73 . . . . 25.0 111.713 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -86.67 -9.95 54.85 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 114.822 -1.081 . . . . 25.0 112.153 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . 0.527 ' O ' ' HB3' ' B' ' 538' ' ' ALA . 76.6 m-85 -83.56 -11.8 56.91 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.531 0.682 . . . . 25.0 111.565 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 91.9 p -84.51 -34.5 23.32 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.331 -1.304 . . . . 25.0 110.277 176.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 89.7 p -90.96 -44.61 9.24 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.802 -0.636 . . . . 25.0 112.133 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.0 mt -86.71 -45.0 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -172.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' B' ' 534' ' ' PHE . . . -76.73 -10.93 59.73 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -171.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -101.44 -17.55 16.41 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.583 -0.735 . . . . 25.0 109.749 174.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 39.3 mtp -83.45 -22.2 32.68 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.653 -0.703 . . . . 25.0 110.917 170.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -85.59 -31.78 22.44 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.522 -0.763 . . . . 25.0 112.274 -175.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . 0.415 ' O ' ' CD1' ' B' ' 542' ' ' PHE . 4.2 t80 -85.52 -19.04 31.77 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 112.586 0.587 . . . . 25.0 112.586 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.0 p -64.43 -22.39 66.94 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.186 0.594 . . . . 25.0 112.388 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -82.19 -23.06 35.67 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.622 HD11 ' HB1' ' A' ' 619' ' ' ALA . 14.6 tp -81.94 -15.27 54.39 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.0 mt -83.25 -33.26 26.08 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.02 0.438 . . . . 25.0 110.767 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.5 p -75.83 -16.52 60.07 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.185 -0.916 . . . . 25.0 112.354 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -83.12 -12.47 57.01 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.158 0.429 . . . . 25.0 112.158 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.0 mt -104.89 -32.16 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.86 -0.609 . . . . 25.0 110.381 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 85.7 p -95.82 -39.86 9.63 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.307 -0.406 . . . . 25.0 111.765 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 117.993 -1.003 . . . . 25.0 111.794 -179.483 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 N-CA-C 112.522 -0.231 . . . . 25.0 112.522 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 84.4 t -90.29 130.52 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 N-CA-C 110.09 -0.337 . . . . 25.0 110.09 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -91.33 130.84 37.14 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.924 -0.58 . . . . 25.0 111.546 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -115.56 -174.25 2.48 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.835 -0.62 . . . . 25.0 111.058 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -66.3 -36.72 92.08 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 114.041 0.376 . . . . 25.0 114.041 -177.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 30.1 p-90 -69.31 -31.79 70.49 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 -177.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -13.14 60.58 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 116.395 -0.366 . . . . 25.0 111.549 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.36 -26.98 26.16 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.502 0.556 . . . . 25.0 112.502 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -106.68 -24.04 12.25 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.056 0.762 . . . . 25.0 113.056 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.482 HG13 HD23 ' A' ' 599' ' ' LEU . 53.5 t -77.07 127.36 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 120.978 0.418 . . . . 25.0 110.343 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 53.6 p -111.28 -175.14 2.63 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.171 -0.922 . . . . 25.0 111.437 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -72.38 -18.3 61.75 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.901 -0.591 . . . . 25.0 109.962 168.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -78.4 -36.03 46.31 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 115.754 -0.657 . . . . 25.0 112.021 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.482 HD23 HG13 ' A' ' 595' ' ' VAL . 50.5 tp -62.47 -48.75 78.25 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 111.457 0.169 . . . . 25.0 111.457 173.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.481 ' O ' HG23 ' A' ' 604' ' ' VAL . 55.1 mtp180 -56.49 -30.13 62.6 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.105 0.562 . . . . 25.0 112.047 -175.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.8 p -78.53 -30.4 46.99 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.552 -0.749 . . . . 25.0 111.576 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -81.01 -21.21 40.38 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.038 0.447 . . . . 25.0 110.315 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.75 -32.58 60.05 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.179 0.992 . . . . 25.0 110.015 173.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 600' ' ' ARG . 77.6 t -83.33 -30.9 8.28 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.022 -0.99 . . . . 25.0 110.832 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -75.85 -17.24 59.89 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.661 0.384 . . . . 25.0 110.474 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -85.14 -25.52 27.41 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 122.059 0.933 . . . . 25.0 108.893 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.529 HD23 ' HB1' ' A' ' 632' ' ' ALA . 49.0 tp -87.12 -40.16 14.9 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 113.194 -1.821 . . . . 25.0 111.512 -177.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 42.5 t -74.72 -22.63 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.173 0.589 . . . . 25.0 111.549 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -83.43 -25.72 31.0 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.551 0.215 . . . . 25.0 111.352 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -79.01 -27.84 43.29 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.385 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.551 HG12 HG21 ' A' ' 660' ' ' ILE . 89.2 mt -81.19 -51.89 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 176.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.425 ' CG ' HD13 ' B' ' 545' ' ' LEU . 68.6 t80 -145.04 113.69 4.91 Favored Pre-proline 0 CA--C 1.549 0.912 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.117 171.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -65.77 135.13 40.32 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.347 2.031 . . . . 25.0 112.139 173.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.65 114.78 56.55 Favored Pre-proline 0 C--O 1.236 0.371 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 -175.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -61.56 -51.97 3.61 Favored 'Trans proline' 0 C--N 1.369 1.657 0 C-N-CA 123.359 2.706 . . . . 25.0 112.591 166.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -107.66 124.33 35.28 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 114.895 -1.048 . . . . 25.0 111.429 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -61.93 -9.99 16.1 Favored 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 123.109 2.539 . . . . 25.0 114.096 174.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.72 -7.99 57.3 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.808 0.67 . . . . 25.0 112.808 -177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.2 -8.28 59.5 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 80.3 mt -84.14 -4.88 59.1 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -107.42 14.72 25.64 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.84 0.353 . . . . 25.0 111.366 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -83.61 166.05 18.51 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.135 -0.484 . . . . 25.0 111.37 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -71.72 -54.71 9.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.948 0.499 . . . . 25.0 111.449 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -68.79 -29.74 68.17 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.773 0.656 . . . . 25.0 112.773 -177.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.2 tpt -77.76 -38.65 46.44 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.367 0.267 . . . . 25.0 111.677 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -56.71 -19.89 19.04 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.09 0.556 . . . . 25.0 112.205 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.55 -38.03 80.46 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.414 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 94.4 mt -86.47 -30.47 22.0 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 120.445 0.164 . . . . 25.0 110.907 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' A' ' 633' ' ' LYS . 74.5 t -56.34 -34.18 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 170.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -77.44 -18.64 57.02 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 114.869 -1.06 . . . . 25.0 111.42 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 3.9 t80 -74.54 -41.84 59.89 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.688 0.395 . . . . 25.0 110.27 169.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.529 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -81.8 -25.53 35.16 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.938 -0.573 . . . . 25.0 112.397 -173.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 629' ' ' VAL . 24.2 mttt -69.58 -27.09 64.82 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.695 0.628 . . . . 25.0 112.695 -176.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.572 ' HB3' HD11 ' B' ' 527' ' ' LEU . 49.2 mmtm -82.23 -35.44 28.19 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.816 0.446 . . . . 25.0 111.401 -177.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.446 HG11 ' HD2' ' A' ' 656' ' ' LYS . 78.6 t -70.03 -46.26 73.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 115.567 -0.742 . . . . 25.0 112.59 -168.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -55.66 -30.86 61.75 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.43 0.692 . . . . 25.0 112.135 -175.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -80.13 -19.48 69.56 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 116.287 -0.415 . . . . 25.0 113.141 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -84.98 -19.74 31.62 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 122.745 0.418 . . . . 25.0 110.968 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.706 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 45.1 mtm -73.56 -20.85 60.52 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.154 0.427 . . . . 25.0 112.154 177.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 640' ' ' TYR . 0.0 OUTLIER -78.6 -31.87 47.3 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.746 0.418 . . . . 25.0 111.857 -176.31 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.478 ' HG2' ' CE2' ' A' ' 640' ' ' TYR . 3.3 mm-40 -88.25 -22.71 23.8 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.322 0.389 . . . . 25.0 111.957 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 29.9 m -90.57 -44.82 9.31 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.049 0.388 . . . . 25.0 112.049 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.56 159.89 16.23 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.318 0.386 . . . . 25.0 111.978 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -120.08 -19.77 7.67 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.926 -0.579 . . . . 25.0 111.475 -178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 80.1 p -132.0 159.07 39.83 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.323 0.249 . . . . 25.0 110.641 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 8.1 ptt-85 -68.76 -19.59 64.33 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.019 0.748 . . . . 25.0 113.019 -175.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . 0.441 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 79.0 m-20 -81.21 -30.39 34.29 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 123.211 0.319 . . . . 25.0 110.73 177.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -86.39 -45.53 11.1 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 123.413 0.446 . . . . 25.0 110.37 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . 0.409 ' HD2' ' CD1' ' A' ' 650' ' ' TYR . 83.6 t80 -55.85 -52.03 65.47 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.678 0.791 . . . . 25.0 111.488 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.409 ' CD1' ' HD2' ' A' ' 649' ' ' TYR . 16.9 m-30 -64.28 -15.61 60.51 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 173.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 1.2 t60 -83.42 -42.78 16.59 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.23 0.456 . . . . 25.0 112.23 -175.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.26 -23.79 62.67 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 112.31 0.485 . . . . 25.0 112.31 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.706 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -87.26 -34.94 18.76 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 122.774 0.43 . . . . 25.0 110.549 177.305 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -72.28 -22.35 61.23 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.848 -0.615 . . . . 25.0 111.325 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -76.39 -36.74 57.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.871 -0.604 . . . . 25.0 112.205 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.446 ' HD2' HG11 ' A' ' 635' ' ' VAL . 57.3 mttp -71.3 -26.25 62.78 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 172.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 6.4 mt -71.89 -30.0 35.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 115.27 -0.877 . . . . 25.0 110.425 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -84.4 -33.44 23.76 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.211 -0.45 . . . . 25.0 111.093 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.413 ' NZ ' ' OE2' ' B' ' 532' ' ' GLU . 88.5 tttt -77.53 -30.36 52.81 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 112.253 0.464 . . . . 25.0 112.253 -177.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.551 HG21 HG12 ' A' ' 611' ' ' ILE . 90.9 mt -76.94 -29.64 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 176.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -70.8 -19.65 62.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.489 -0.778 . . . . 25.0 111.85 172.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -79.29 -40.72 29.75 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.776 0.43 . . . . 25.0 112.107 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -69.12 -41.69 77.05 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.605 0.594 . . . . 25.0 112.605 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 68.2 mt -60.0 -21.15 60.92 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 112.486 0.55 . . . . 25.0 112.486 173.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -86.53 -18.13 32.33 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 122.518 0.327 . . . . 25.0 111.479 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -75.78 -24.89 56.04 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 122.699 0.4 . . . . 25.0 111.457 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -85.98 -22.88 27.11 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.116 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -87.31 -25.51 23.87 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.632 -0.713 . . . . 25.0 111.462 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -91.72 -18.38 24.01 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 111.779 0.289 . . . . 25.0 111.779 -178.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 61.8 p -92.23 -38.82 11.88 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.654 0.613 . . . . 25.0 112.654 -174.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -112.16 -75.79 0.6 Allowed 'General case' 0 C--O 1.234 0.283 0 N-CA-C 112.369 0.507 . . . . 25.0 112.369 -176.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 81.4 mt . . . . . 0 C--O 1.252 1.224 0 CA-C-N 115.727 -0.669 . . . . 25.0 111.123 -178.062 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 112.579 -0.208 . . . . 25.0 112.579 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 19.1 t -120.57 133.79 24.1 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 122.42 0.288 . . . . 25.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.05 138.69 31.42 Favored 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 122.399 2.066 . . . . 25.0 113.418 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -158.95 148.34 17.19 Favored Glycine 0 C--N 1.339 0.714 0 CA-C-N 115.865 -0.607 . . . . 25.0 112.763 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -108.9 97.99 27.39 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 122.387 0.275 . . . . 25.0 110.357 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -67.69 162.78 37.84 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.744 2.296 . . . . 25.0 113.219 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 64.38 120.9 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.268 1.027 . . . . 25.0 111.728 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -176.94 48.9 0.11 Allowed Glycine 0 C--N 1.338 0.668 0 CA-C-N 115.587 -0.733 . . . . 25.0 112.747 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . 0.572 HD11 ' HB3' ' A' ' 634' ' ' LYS . 7.6 mt -122.13 30.23 6.68 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 112.015 0.376 . . . . 25.0 112.015 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 84.5 mt -74.62 82.21 2.03 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.504 0.669 . . . . 25.0 109.884 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 23.0 t 63.31 94.46 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 115.051 -0.977 . . . . 25.0 111.421 -177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 178.63 85.51 0.06 OUTLIER Glycine 0 C--N 1.337 0.61 0 CA-C-N 115.423 -0.808 . . . . 25.0 112.581 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -135.14 -11.27 2.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.755 -0.723 . . . . 25.0 110.802 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . 0.413 ' OE2' ' NZ ' ' A' ' 659' ' ' LYS . 9.0 mt-10 -118.69 -4.59 10.74 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.691 -0.686 . . . . 25.0 111.84 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -91.22 -9.64 44.55 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.083 -0.962 . . . . 25.0 111.904 -175.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -82.29 -12.13 58.21 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.637 0.256 . . . . 25.0 111.62 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 89.7 p -66.71 -21.21 66.09 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.831 -0.622 . . . . 25.0 111.773 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 87.4 p -85.51 -24.62 27.25 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.727 -0.67 . . . . 25.0 110.718 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.54 -32.06 6.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 115.677 -0.692 . . . . 25.0 110.938 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.77 -11.19 59.11 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -99.03 -11.76 21.2 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.564 -0.744 . . . . 25.0 109.92 174.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 97.7 mtp -94.4 -27.57 15.98 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.569 -0.741 . . . . 25.0 110.995 172.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 84.1 m-20 -89.45 -19.61 24.92 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.536 -0.757 . . . . 25.0 111.608 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -72.33 -28.13 62.87 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 122.975 0.172 . . . . 25.0 111.243 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 99.4 p -81.93 -23.94 35.89 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.4 0.438 . . . . 25.0 111.659 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.35 -22.61 30.49 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.164 0.431 . . . . 25.0 112.164 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 85.7 mt -83.18 -18.2 40.19 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.321 0.489 . . . . 25.0 112.321 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.2 mt -84.55 -28.86 26.35 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.944 0.402 . . . . 25.0 110.805 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.6 p -75.89 -15.57 60.18 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.257 -0.883 . . . . 25.0 112.348 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 93.8 mm-40 -69.02 -14.09 62.83 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 112.902 0.705 . . . . 25.0 112.902 -176.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 78.9 mt -104.73 -25.23 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 85.7 p -95.06 -41.45 9.12 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.177 0.298 . . . . 25.0 111.683 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--O 1.253 1.265 0 CA-C-O 118.699 -0.667 . . . . 25.0 111.01 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.452 -0.259 . . . . 25.0 112.452 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 95.2 t -90.38 140.18 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 111.819 0.303 . . . . 25.0 111.819 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -92.47 123.9 36.12 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.812 -0.631 . . . . 25.0 110.799 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.477 ' HB2' ' CD1' ' A' ' 591' ' ' TRP . 97.9 mttt -123.41 -169.14 1.89 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.018 -0.537 . . . . 25.0 109.831 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -54.04 -21.21 16.8 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 114.703 0.641 . . . . 25.0 114.703 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.477 ' CD1' ' HB2' ' A' ' 589' ' ' LYS . 57.7 p-90 -68.15 -33.13 73.9 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.14 0.576 . . . . 25.0 112.535 178.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.19 -12.91 60.4 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.325 0.25 . . . . 25.0 111.155 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -81.97 -21.52 37.12 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.132 -0.485 . . . . 25.0 111.899 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -115.13 -24.13 8.68 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.752 0.649 . . . . 25.0 112.752 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 77.7 t -80.44 125.24 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-O 121.042 0.449 . . . . 25.0 110.038 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 73.2 p -112.45 -175.61 2.72 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.074 -0.966 . . . . 25.0 111.164 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -75.29 -18.25 60.1 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.069 -0.514 . . . . 25.0 110.308 168.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -84.6 -36.03 22.31 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 115.881 -0.599 . . . . 25.0 112.246 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.63 -46.9 87.81 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 117.761 0.255 . . . . 25.0 111.472 176.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -55.43 -29.5 58.73 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.11 0.564 . . . . 25.0 111.999 -176.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 83.5 p -78.19 -32.17 49.89 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.507 -0.769 . . . . 25.0 111.798 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -82.97 -21.62 33.93 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.633 0.373 . . . . 25.0 110.711 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.522 ' CD1' ' OH ' ' A' ' 649' ' ' TYR . 37.5 mt -71.52 -31.59 67.22 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.772 0.829 . . . . 25.0 110.239 173.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 28.0 t -83.4 -33.55 10.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 115.098 -0.955 . . . . 25.0 110.869 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.539 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 80.1 t60 -74.94 -16.81 60.63 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 122.61 0.364 . . . . 25.0 110.789 176.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -85.76 -27.81 24.98 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 122.134 0.969 . . . . 25.0 108.671 176.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 14.3 tp -87.08 -37.97 16.93 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 113.017 -1.901 . . . . 25.0 111.619 -175.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 77.6 t -75.93 -24.76 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.163 0.585 . . . . 25.0 111.279 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 99.6 mm-40 -83.65 -25.81 30.44 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.491 0.186 . . . . 25.0 111.313 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -76.41 -31.86 58.18 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 116.036 -0.529 . . . . 25.0 111.275 174.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.613 HG12 HG21 ' A' ' 660' ' ' ILE . 88.5 mt -78.81 -56.46 7.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 N-CA-C 109.527 -0.545 . . . . 25.0 109.527 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -142.85 110.94 5.66 Favored Pre-proline 0 CA--C 1.547 0.841 0 O-C-N 123.328 0.392 . . . . 25.0 110.301 172.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -68.45 134.81 31.92 Favored 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 122.28 1.987 . . . . 25.0 112.215 173.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.409 ' CG2' ' HB3' ' A' ' 619' ' ' ALA . 0.1 OUTLIER -105.02 113.28 64.91 Favored Pre-proline 0 C--O 1.236 0.352 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 -177.439 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -59.96 -51.6 5.54 Favored 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 123.416 2.744 . . . . 25.0 112.634 167.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -107.06 123.19 39.16 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 114.813 -1.085 . . . . 25.0 111.098 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -60.83 -10.47 14.59 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 123.004 2.469 . . . . 25.0 114.25 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.24 -8.28 56.72 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.409 ' HB3' ' CG2' ' A' ' 614' ' ' THR . . . -81.48 -17.72 47.67 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.724 0.41 . . . . 25.0 112.017 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 90.7 mt -81.19 2.4 27.87 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.222 -0.444 . . . . 25.0 112.159 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -101.49 14.58 31.53 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.111 0.481 . . . . 25.0 110.784 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.29 153.41 20.91 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.594 -0.73 . . . . 25.0 110.776 -177.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 14.4 mmp_? -79.66 -37.48 35.82 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.3 -0.864 . . . . 25.0 110.76 -176.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.411 ' CZ ' ' HB1' ' B' ' 544' ' ' ALA . 62.6 mtm180 -72.59 -28.03 62.54 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 114.816 -1.084 . . . . 25.0 112.049 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -80.9 -37.08 30.29 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 122.572 0.349 . . . . 25.0 111.063 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.33 -20.31 18.42 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.426 0.691 . . . . 25.0 112.446 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -70.84 -35.81 72.6 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 96.0 mt -86.44 -29.75 22.59 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 110.482 -0.192 . . . . 25.0 110.482 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.47 -32.33 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 122.869 0.468 . . . . 25.0 109.834 170.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -80.59 -19.25 45.95 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 114.95 -1.023 . . . . 25.0 111.525 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.412 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 75.0 t80 -74.13 -41.74 61.11 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.858 0.463 . . . . 25.0 110.112 169.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -79.33 -37.86 36.58 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.053 -0.521 . . . . 25.0 111.941 -174.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -66.31 -21.49 66.26 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.145 0.578 . . . . 25.0 111.037 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -86.24 -37.23 18.82 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.206 -0.906 . . . . 25.0 112.217 -177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.501 HG11 ' HD2' ' A' ' 656' ' ' LYS . 25.5 t -67.53 -48.07 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 N-CA-C 113.487 0.921 . . . . 25.0 113.487 -168.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -63.78 -21.58 66.49 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 112.937 0.717 . . . . 25.0 112.937 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -72.37 -26.33 72.23 Favored Glycine 0 C--N 1.344 0.985 0 O-C-N 123.207 0.317 . . . . 25.0 112.687 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -87.53 -19.04 28.45 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 122.936 0.494 . . . . 25.0 110.739 176.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.607 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 31.9 mmt -70.35 -26.01 63.55 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -78.08 -25.1 47.46 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.48 -0.327 . . . . 25.0 111.271 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -88.94 -23.34 22.71 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.243 -0.435 . . . . 25.0 111.834 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 55.1 p -96.12 -39.1 9.88 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 -176.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -89.66 153.79 20.46 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.714 0.264 . . . . 25.0 111.714 -177.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -121.73 -14.11 8.19 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.91 -0.586 . . . . 25.0 111.147 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 51.5 p -131.97 165.48 23.85 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.628 -0.26 . . . . 25.0 110.848 -176.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -68.97 -31.82 70.95 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.075 0.55 . . . . 25.0 111.705 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 98.9 m-20 -80.73 -23.69 39.29 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.053 0.39 . . . . 25.0 112.053 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -86.44 -38.29 17.48 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.945 -0.391 . . . . 25.0 109.945 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . 0.522 ' OH ' ' CD1' ' A' ' 603' ' ' LEU . 0.8 OUTLIER -58.97 -54.73 43.8 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.067 0.547 . . . . 25.0 111.316 177.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -72.1 -21.48 61.48 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.809 1.04 . . . . 25.0 113.809 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 1.3 m-70 -81.3 -34.23 32.08 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 111.71 0.263 . . . . 25.0 111.71 -177.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.607 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 72.3 mt -61.99 -38.2 87.72 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.392 0.677 . . . . 25.0 112.295 175.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.62 -30.29 61.6 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.935 -0.575 . . . . 25.0 112.312 173.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.433 ' O ' ' CD1' ' A' ' 658' ' ' TYR . . . -78.38 -27.0 46.78 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -76.18 -30.88 58.24 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.233 0.456 . . . . 25.0 112.233 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.501 ' HD2' HG11 ' A' ' 635' ' ' VAL . 23.5 mttm -69.93 -28.67 65.77 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 171.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 3.5 mt -67.68 -32.0 54.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 114.964 -1.016 . . . . 25.0 110.698 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 654' ' ' ALA . 60.7 m-85 -85.56 -34.43 21.48 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.284 -0.416 . . . . 25.0 111.461 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -71.78 -33.7 68.82 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.613 HG21 HG12 ' A' ' 611' ' ' ILE . 96.8 mt -74.12 -28.69 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 116.105 -0.498 . . . . 25.0 109.849 177.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -70.37 -19.8 63.0 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.38 -0.827 . . . . 25.0 111.917 171.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . 0.515 ' O ' ' HB2' ' A' ' 665' ' ' GLU . 30.2 ttpt -81.09 -38.08 27.89 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.973 0.509 . . . . 25.0 112.243 178.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -70.31 -41.1 73.74 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 122.982 0.513 . . . . 25.0 112.261 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.19 -21.62 66.33 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 116.066 -0.515 . . . . 25.0 112.28 172.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' A' ' 662' ' ' LYS . 12.5 mm-40 -72.46 -17.17 61.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 122.875 0.47 . . . . 25.0 111.091 178.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -70.91 -22.36 62.26 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.709 0.404 . . . . 25.0 111.306 174.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -83.0 -27.19 30.56 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.614 174.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -87.19 -20.93 26.26 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.52 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -91.56 -26.06 18.92 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.47 -0.332 . . . . 25.0 111.418 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 76.5 p -91.95 -39.12 11.87 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.611 -0.268 . . . . 25.0 111.656 -177.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 53.2 94.07 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.778 0.831 . . . . 25.0 112.057 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 57.4 tp . . . . . 0 N--CA 1.48 1.064 0 C-N-CA 124.497 1.119 . . . . 25.0 113.621 -178.754 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.116 0 N-CA-C 112.494 -0.242 . . . . 25.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 12.8 t -107.77 124.58 34.46 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 122.306 0.243 . . . . 25.0 110.693 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -73.92 -24.75 14.95 Favored 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 122.42 2.08 . . . . 25.0 113.919 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 112.49 -69.09 0.23 Allowed Glycine 0 C--N 1.341 0.81 0 O-C-N 123.381 0.426 . . . . 25.0 112.714 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -117.98 98.61 51.66 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 122.425 0.29 . . . . 25.0 111.301 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.84 -10.44 26.33 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.769 2.313 . . . . 25.0 113.748 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -84.48 -19.29 33.57 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -97.95 154.75 20.29 Favored Glycine 0 C--N 1.341 0.823 0 C-N-CA 121.452 -0.404 . . . . 25.0 112.91 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 96.5 mt -116.73 30.51 7.29 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 120.902 0.382 . . . . 25.0 111.791 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 90.3 mt -74.19 -6.86 50.31 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.649 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 38.7 t -142.48 91.49 2.33 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.445 -0.798 . . . . 25.0 110.138 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -163.89 -86.77 0.06 OUTLIER Glycine 0 C--N 1.336 0.57 0 CA-C-N 115.508 -0.769 . . . . 25.0 112.368 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -131.49 -4.01 3.77 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 120.844 0.354 . . . . 25.0 110.696 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -99.95 -4.1 30.87 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.759 -0.655 . . . . 25.0 112.483 -178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.64 -40.16 56.63 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.294 -0.867 . . . . 25.0 111.948 -175.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -88.23 -11.48 46.52 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.735 0.303 . . . . 25.0 111.341 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 53.4 p -67.53 -19.98 65.37 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.465 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 65.1 p -80.45 -27.78 37.83 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.96 -0.564 . . . . 25.0 110.735 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 96.5 mt -86.63 -32.4 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-N 115.305 -0.861 . . . . 25.0 110.926 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -82.26 -11.82 58.42 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -177.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -102.09 -7.69 22.07 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.406 -0.815 . . . . 25.0 109.528 174.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 49.6 ttm -95.21 -32.07 13.21 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.029 -0.987 . . . . 25.0 109.858 174.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . 0.49 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 98.5 m-20 -88.34 -19.75 26.26 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.268 -0.878 . . . . 25.0 111.927 -177.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -71.67 -26.25 62.45 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.418 0.152 . . . . 25.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 95.0 p -81.9 -26.45 34.1 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.132 -0.485 . . . . 25.0 111.577 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . 0.411 ' HB1' ' CZ ' ' A' ' 624' ' ' ARG . . . -84.23 -22.84 30.69 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.282 -0.417 . . . . 25.0 111.814 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 71.0 mt -80.16 -15.86 56.15 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.119 -0.491 . . . . 25.0 112.311 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 95.6 mt -81.29 -26.22 35.88 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 121.05 0.452 . . . . 25.0 110.626 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 60.6 p -75.83 -15.73 60.19 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.104 -0.953 . . . . 25.0 112.116 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -70.37 -12.9 61.89 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.085 0.772 . . . . 25.0 113.085 -176.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 40.9 pt -104.81 -17.81 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 112.365 0.505 . . . . 25.0 112.365 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 78.5 p -98.87 -40.53 8.05 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.538 -0.301 . . . . 25.0 111.303 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 C--O 1.252 1.188 0 CA-C-O 118.836 -0.602 . . . . 25.0 110.894 -179.893 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.453 -0.259 . . . . 25.0 112.453 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 85.8 t -90.16 134.68 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 109.983 -0.377 . . . . 25.0 109.983 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -91.28 129.42 37.27 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.887 -0.597 . . . . 25.0 111.49 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -114.6 -174.27 2.45 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.874 -0.603 . . . . 25.0 110.772 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -62.9 -41.97 99.77 Favored Glycine 0 C--N 1.347 1.169 0 N-CA-C 114.142 0.417 . . . . 25.0 114.142 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -68.0 -32.61 73.11 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.59 0.589 . . . . 25.0 112.59 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -73.35 -18.94 61.12 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.598 -0.274 . . . . 25.0 111.587 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -75.28 -29.1 60.01 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.675 0.62 . . . . 25.0 112.675 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -107.87 -24.74 11.53 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.954 0.724 . . . . 25.0 112.954 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.413 ' HA ' HD12 ' A' ' 599' ' ' LEU . 53.5 t -78.98 126.85 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 109.738 -0.467 . . . . 25.0 109.738 178.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 73.3 p -111.16 -175.42 2.7 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.387 -0.824 . . . . 25.0 111.757 -174.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -73.12 -17.34 61.41 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.461 -0.79 . . . . 25.0 110.036 169.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -84.48 -31.15 24.69 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.862 -0.608 . . . . 25.0 111.523 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 595' ' ' VAL . 7.8 mt -66.52 -49.25 67.15 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 117.752 0.251 . . . . 25.0 111.302 173.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 81.3 mtp85 -54.43 -25.56 25.58 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -176.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 86.1 p -84.89 -35.07 22.42 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.996 -0.547 . . . . 25.0 111.621 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -77.33 -25.57 51.27 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.84 0.456 . . . . 25.0 111.335 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 47.8 mt -69.72 -31.62 69.72 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.787 0.835 . . . . 25.0 110.892 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 96.7 t -83.12 -27.23 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.38 1.072 . . . . 25.0 110.276 175.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -78.56 -16.91 56.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.069 -0.514 . . . . 25.0 109.859 171.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -81.37 -26.63 35.36 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.272 -0.876 . . . . 25.0 108.813 174.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.991 HD13 ' HB1' ' A' ' 632' ' ' ALA . 0.5 OUTLIER -78.06 -57.88 3.56 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 113.896 -1.502 . . . . 25.0 110.746 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 71.2 t -61.15 -24.85 34.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 C-N-CA 123.683 0.793 . . . . 25.0 111.631 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -83.76 -36.17 23.81 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.686 0.395 . . . . 25.0 110.45 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -74.75 -23.31 58.53 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.082 -0.508 . . . . 25.0 111.775 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.526 HG12 HD13 ' A' ' 660' ' ' ILE . 80.4 mt -87.44 -54.25 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 116.066 -0.515 . . . . 25.0 109.964 178.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.516 ' CD2' HD13 ' B' ' 545' ' ' LEU . 87.9 t80 -139.69 116.11 8.26 Favored Pre-proline 0 CA--C 1.548 0.896 0 O-C-N 123.217 0.323 . . . . 25.0 110.469 176.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . 0.444 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 51.8 Cg_exo -62.3 138.1 69.65 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.405 2.07 . . . . 25.0 112.335 173.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 37.0 m -92.35 114.4 62.17 Favored Pre-proline 0 CA--C 1.534 0.357 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -174.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 87.7 Cg_exo -63.97 -56.36 0.49 Allowed 'Trans proline' 0 C--N 1.368 1.563 0 C-N-CA 123.444 2.763 . . . . 25.0 112.757 167.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 617' ' ' PRO . 2.5 t70 -127.11 140.36 37.63 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 115.295 -0.866 . . . . 25.0 111.515 -178.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 616' ' ' ASP . 42.2 Cg_exo -59.84 -13.3 21.82 Favored 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 123.966 3.111 . . . . 25.0 114.292 174.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -85.79 -19.91 30.01 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.346 0.499 . . . . 25.0 112.346 -178.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -67.03 -9.44 39.12 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.794 0.664 . . . . 25.0 112.794 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 97.0 mt -86.48 0.51 54.08 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -175.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -103.12 14.76 31.05 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.154 0.502 . . . . 25.0 110.494 -177.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -84.08 149.87 25.94 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.606 -0.724 . . . . 25.0 111.028 -177.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -75.13 -46.19 35.99 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.069 -0.969 . . . . 25.0 111.675 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -65.21 -19.57 66.03 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.685 0.624 . . . . 25.0 112.685 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 10.0 ttt -86.82 -41.43 14.07 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.732 0.271 . . . . 25.0 111.732 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -57.48 -20.01 28.17 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.409 0.892 . . . . 25.0 113.409 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -69.47 -33.91 73.58 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 178.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.548 ' O ' ' HB2' ' A' ' 631' ' ' TYR . 31.9 mt -86.77 -30.08 21.85 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 110.52 -0.178 . . . . 25.0 110.52 176.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 65.0 t -53.92 -40.59 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 N-CA-C 109.55 -0.537 . . . . 25.0 109.55 171.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -70.99 -19.76 62.5 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.896 -1.047 . . . . 25.0 111.692 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.548 ' HB2' ' O ' ' A' ' 628' ' ' LEU . 16.9 m-30 -75.97 -31.58 59.08 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.888 -0.597 . . . . 25.0 110.527 171.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.991 ' HB1' HD13 ' A' ' 607' ' ' LEU . . . -84.05 -32.28 24.93 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.282 -0.417 . . . . 25.0 111.706 177.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.67 -25.17 67.83 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 120.944 0.402 . . . . 25.0 111.18 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -85.35 -36.61 20.65 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.378 -0.828 . . . . 25.0 111.718 -176.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' A' ' 639' ' ' MET . 34.0 m -76.7 -25.96 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 112.075 0.398 . . . . 25.0 112.075 -175.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -81.78 -35.17 29.88 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.711 0.404 . . . . 25.0 111.372 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -84.33 -19.82 59.86 Favored Glycine 0 C--N 1.343 0.937 0 O-C-N 123.249 0.343 . . . . 25.0 113.584 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -87.52 -19.07 28.42 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.564 0.345 . . . . 25.0 111.302 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.634 ' SD ' ' HG ' ' A' ' 653' ' ' LEU . 65.1 mtt -78.61 -20.9 49.36 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -177.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 640' ' ' TYR . 0.0 OUTLIER -73.44 -25.43 60.51 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.767 0.427 . . . . 25.0 111.068 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.53 -24.0 23.03 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.075 -0.511 . . . . 25.0 111.831 178.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 87.1 p -95.78 -33.42 12.28 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.442 -0.345 . . . . 25.0 111.928 -176.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -91.13 146.0 24.21 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.192 0.307 . . . . 25.0 111.499 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -107.09 -18.26 13.95 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.038 -0.528 . . . . 25.0 111.162 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 80.1 p -131.98 161.48 33.03 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.407 -0.36 . . . . 25.0 110.717 -176.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 52.1 ptt85 -73.03 -22.17 60.68 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.862 -0.608 . . . . 25.0 111.727 -177.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -81.06 -27.75 35.59 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.276 0.36 . . . . 25.0 111.246 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -85.67 -41.69 14.95 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.623 0.369 . . . . 25.0 110.078 176.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -56.12 -48.79 75.52 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.374 0.669 . . . . 25.0 111.349 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -74.61 -16.81 60.78 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 177.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -84.71 -37.52 20.83 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.171 0.188 . . . . 25.0 111.293 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.28 -41.29 93.01 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.609 0.764 . . . . 25.0 112.384 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.634 ' HG ' ' SD ' ' A' ' 639' ' ' MET . 0.3 OUTLIER -71.92 -33.19 68.09 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.135 -0.484 . . . . 25.0 112.293 175.042 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.39 -29.72 57.23 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -77.32 -25.23 51.0 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -72.07 -31.18 65.87 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 109.144 -0.687 . . . . 25.0 109.144 169.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 7.8 mt -67.04 -36.26 76.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 114.647 -1.161 . . . . 25.0 111.21 -177.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 661' ' ' GLN . 21.1 m-30 -81.12 -28.67 35.06 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.538 0.524 . . . . 25.0 111.267 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -76.55 -22.0 54.92 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 116.317 -0.401 . . . . 25.0 111.161 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.526 HD13 HG12 ' A' ' 611' ' ' ILE . 63.8 mt -81.56 -22.52 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 173.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 658' ' ' TYR . 71.7 mt-30 -72.92 -38.0 67.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.089 -0.96 . . . . 25.0 112.274 176.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -64.15 -40.1 95.42 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.396 -0.82 . . . . 25.0 112.749 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -70.22 -40.79 74.31 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -175.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 99.7 mt -64.3 -18.58 64.74 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 173.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -74.17 -16.88 60.97 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.238 0.829 . . . . 25.0 113.238 -176.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -71.19 -26.08 62.8 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -84.57 -17.97 37.1 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.266 -0.425 . . . . 25.0 111.162 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -79.99 -22.5 42.45 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.734 -0.667 . . . . 25.0 111.316 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -91.17 -12.21 36.07 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.361 -0.381 . . . . 25.0 111.803 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 92.8 p -94.35 -27.13 16.25 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.258 0.466 . . . . 25.0 112.258 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -97.95 -13.13 21.33 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.224 0.327 . . . . 25.0 111.555 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 117.981 -1.009 . . . . 25.0 110.732 179.447 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.455 -0.258 . . . . 25.0 112.455 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 27.8 t -118.53 105.34 46.22 Favored Pre-proline 0 CA--C 1.544 0.729 0 O-C-N 123.613 0.243 . . . . 25.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -62.33 144.33 95.03 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 122.828 2.352 . . . . 25.0 113.245 177.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -161.1 165.48 35.33 Favored Glycine 0 C--N 1.338 0.648 0 CA-C-N 115.915 -0.584 . . . . 25.0 112.801 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -112.26 108.66 54.71 Favored Pre-proline 0 CA--C 1.544 0.728 0 CA-C-O 119.513 -0.279 . . . . 25.0 111.045 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -69.69 118.34 5.62 Favored 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.448 2.099 . . . . 25.0 112.789 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -131.13 -41.56 1.11 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.825 -0.625 . . . . 25.0 110.386 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -171.49 72.31 0.11 Allowed Glycine 0 C--N 1.339 0.724 0 CA-C-N 116.012 -0.54 . . . . 25.0 112.007 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 96.3 mt -110.47 -53.43 2.69 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.261 0.553 . . . . 25.0 110.714 -176.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 95.8 mt -95.33 -8.65 35.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.547 -1.206 . . . . 25.0 111.123 -177.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 94.5 p -132.88 25.36 4.31 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 115.74 -0.664 . . . . 25.0 111.564 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -114.72 -97.71 2.19 Favored Glycine 0 C--N 1.341 0.811 0 C-N-CA 121.243 -0.504 . . . . 25.0 112.565 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -138.24 -1.5 1.92 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 122.626 0.37 . . . . 25.0 111.483 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -96.62 -4.38 41.16 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.041 0.536 . . . . 25.0 112.348 -177.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.5 -36.16 57.94 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.13 -0.941 . . . . 25.0 111.246 -178.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -88.94 -11.78 43.46 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.253 0.345 . . . . 25.0 110.882 176.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 41.2 p -69.59 -18.69 63.64 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.017 -0.538 . . . . 25.0 111.508 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 92.6 p -89.35 -29.13 19.34 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.924 -0.58 . . . . 25.0 111.33 177.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . 0.439 HG22 HD21 ' A' ' 628' ' ' LEU . 80.2 mt -86.57 -29.94 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.465 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.77 -11.3 59.06 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.018 0.747 . . . . 25.0 113.018 -176.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -100.58 -11.03 20.41 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.674 -0.694 . . . . 25.0 109.855 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 81.0 mmm -93.72 -28.66 15.81 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.307 -0.86 . . . . 25.0 110.745 173.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -91.64 -19.53 22.59 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.595 -0.729 . . . . 25.0 111.731 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -74.93 -27.25 60.13 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.474 0.178 . . . . 25.0 111.136 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 84.6 p -81.7 -24.21 36.33 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.833 0.453 . . . . 25.0 111.386 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -79.94 -28.37 39.69 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.325 0.391 . . . . 25.0 111.398 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' A' ' 612' ' ' PHE . 96.0 mt -84.23 -20.64 31.94 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.811 -0.631 . . . . 25.0 111.153 174.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 546' ' ' LEU . 9.3 mt -76.78 -28.66 55.75 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.643 -0.708 . . . . 25.0 110.712 177.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.5 p -76.59 -15.75 59.76 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.573 -0.739 . . . . 25.0 111.991 175.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -71.95 -14.34 61.89 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.083 0.771 . . . . 25.0 113.083 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 42.9 pt -104.93 -27.92 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 112.21 0.448 . . . . 25.0 112.21 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 91.4 p -96.17 -35.54 11.27 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.556 -0.293 . . . . 25.0 111.726 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 59.7 p . . . . . 0 C--O 1.249 1.068 0 CA-C-O 117.995 -1.002 . . . . 25.0 110.903 179.832 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.512 -0.235 . . . . 25.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 63.6 t -90.36 136.18 24.57 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-O 120.912 0.387 . . . . 25.0 111.164 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -92.55 145.63 24.29 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.527 -0.76 . . . . 25.0 111.312 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -117.22 171.14 8.15 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.826 -0.625 . . . . 25.0 110.524 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -77.64 -17.44 78.9 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 115.766 -0.652 . . . . 25.0 114.687 -174.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 46.2 p-90 -63.41 -35.19 79.58 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.168 0.803 . . . . 25.0 113.168 -177.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -13.13 61.55 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.075 0.234 . . . . 25.0 111.555 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -83.33 -24.69 32.0 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.128 0.418 . . . . 25.0 112.128 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -112.29 -24.36 9.85 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.925 0.713 . . . . 25.0 112.925 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 89.9 t -79.07 124.02 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 70.3 p -113.61 -174.06 2.39 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.222 -0.899 . . . . 25.0 111.74 -177.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -74.95 -17.81 60.49 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.417 -0.81 . . . . 25.0 110.05 169.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -84.0 -36.59 23.04 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.547 -0.751 . . . . 25.0 111.466 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.99 -41.43 97.51 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.951 0.352 . . . . 25.0 111.951 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -64.25 -23.85 67.46 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 112.174 0.435 . . . . 25.0 112.174 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 86.2 p -84.46 -35.03 23.3 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.228 -0.442 . . . . 25.0 111.746 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -75.49 -34.2 60.84 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.787 0.435 . . . . 25.0 110.969 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.38 -25.54 66.01 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.314 0.646 . . . . 25.0 112.653 171.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 11.6 t -83.09 -27.84 7.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 115.756 -0.656 . . . . 25.0 110.171 172.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -78.13 -16.64 57.76 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.027 171.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -82.78 -29.67 29.46 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.038 -0.983 . . . . 25.0 108.762 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.46 HD23 ' HB1' ' A' ' 632' ' ' ALA . 23.1 tp -88.1 -38.74 15.15 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 113.114 -1.857 . . . . 25.0 111.905 -175.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 34.5 t -74.88 -22.08 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.26 0.624 . . . . 25.0 111.319 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -82.32 -25.89 33.51 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.663 0.268 . . . . 25.0 111.213 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -79.59 -22.42 43.76 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.743 -0.662 . . . . 25.0 111.47 174.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.417 ' CG1' HD13 ' A' ' 660' ' ' ILE . 87.3 mt -88.02 -59.44 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 109.745 -0.465 . . . . 25.0 109.745 177.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.448 ' CG ' HD13 ' B' ' 545' ' ' LEU . 80.1 t80 -139.64 102.39 7.15 Favored Pre-proline 0 CA--C 1.547 0.843 0 O-C-N 123.271 0.357 . . . . 25.0 110.442 176.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -82.55 140.83 10.81 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 122.183 1.922 . . . . 25.0 112.712 173.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.0 t -155.04 128.6 4.45 Favored Pre-proline 0 CA--C 1.544 0.745 0 CA-C-N 116.203 -0.453 . . . . 25.0 112.196 -177.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -50.48 -54.9 4.68 Favored 'Trans proline' 0 C--N 1.372 1.781 0 C-N-CA 124.074 3.182 . . . . 25.0 114.312 172.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.404 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 50.9 t0 -72.14 117.08 55.21 Favored Pre-proline 0 N--CA 1.473 0.688 0 CA-C-N 115.588 -0.733 . . . . 25.0 112.477 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 58.4 Cg_endo -65.4 -10.32 25.64 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.764 2.31 . . . . 25.0 113.989 173.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.31 -11.91 60.16 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.903 0.705 . . . . 25.0 112.903 -176.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.54 -16.08 46.85 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.007 0.373 . . . . 25.0 112.007 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.89 -1.92 57.76 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.115 -0.493 . . . . 25.0 112.04 -176.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -107.73 14.51 25.49 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.105 0.479 . . . . 25.0 110.491 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -82.72 162.7 21.69 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.854 -0.612 . . . . 25.0 110.869 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -78.39 -42.46 30.2 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.879 -0.6 . . . . 25.0 110.853 -176.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -74.21 -21.02 59.98 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 114.944 -1.025 . . . . 25.0 111.639 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 3.0 tpp -88.1 -37.26 16.38 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.388 -0.369 . . . . 25.0 111.05 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -56.86 -20.43 22.86 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 123.286 0.634 . . . . 25.0 112.364 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -69.56 -37.32 76.98 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.31 0.485 . . . . 25.0 112.31 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.505 HD21 HG22 ' B' ' 537' ' ' ILE . 23.2 mt -86.73 -28.4 23.09 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 121.271 -0.172 . . . . 25.0 110.761 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 54.5 t -56.88 -34.4 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 122.924 0.489 . . . . 25.0 109.858 171.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -83.46 -18.82 37.3 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.935 -1.03 . . . . 25.0 111.309 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.65 ' HE2' ' CD2' ' B' ' 534' ' ' PHE . 37.8 t80 -78.3 -35.68 47.5 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.528 -0.76 . . . . 25.0 110.383 174.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.46 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -83.2 -32.01 26.77 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.117 178.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -69.42 -19.3 63.79 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.721 -0.672 . . . . 25.0 110.631 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.83 -41.59 20.85 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.284 -0.871 . . . . 25.0 111.218 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 77.2 t -71.44 -43.84 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.02 0.378 . . . . 25.0 112.02 -174.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.458 ' HA ' ' CE ' ' A' ' 639' ' ' MET . 1.9 pp20? -54.01 -30.32 47.01 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.692 0.797 . . . . 25.0 112.197 -177.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . 0.431 ' O ' ' HD2' ' A' ' 640' ' ' TYR . . . -80.67 -19.62 67.83 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 116.308 -0.405 . . . . 25.0 113.419 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -85.45 -19.16 31.7 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.592 0.357 . . . . 25.0 111.802 178.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.661 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 68.3 mtm -70.87 -22.47 62.28 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 177.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.431 ' HD2' ' O ' ' A' ' 637' ' ' GLY . 0.0 OUTLIER -81.06 -29.85 34.91 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 116.492 -0.322 . . . . 25.0 111.14 -178.419 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -88.5 -21.71 24.02 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.267 -0.424 . . . . 25.0 111.818 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 78.2 p -94.65 -34.03 12.75 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.271 0.357 . . . . 25.0 111.871 -177.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -102.1 146.02 28.52 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.23 0.331 . . . . 25.0 111.726 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -114.03 -5.96 13.13 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.77 -0.65 . . . . 25.0 111.572 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 94.4 p -132.17 153.64 50.34 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.193 -0.458 . . . . 25.0 110.66 -177.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.547 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 0.2 OUTLIER -70.25 -24.35 63.06 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 -175.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 95.6 m-20 -81.47 -28.65 34.03 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 111.855 0.317 . . . . 25.0 111.855 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -86.02 -35.93 20.05 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.279 0.362 . . . . 25.0 110.382 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -60.36 -53.21 60.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.241 0.616 . . . . 25.0 111.036 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 646' ' ' ARG . 30.3 m-85 -71.49 -16.28 62.35 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 112.823 0.675 . . . . 25.0 112.823 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . 0.478 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 0.2 OUTLIER -84.83 -24.64 28.54 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.827 0.306 . . . . 25.0 111.827 -178.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 60.4 mt -73.89 -35.12 64.64 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.589 0.356 . . . . 25.0 111.903 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.661 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.9 OUTLIER -78.59 -30.61 46.77 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.729 174.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -78.58 -26.18 45.46 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.12 0.415 . . . . 25.0 112.12 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -78.25 -29.14 47.98 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 111.858 0.318 . . . . 25.0 111.858 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -70.51 -30.93 67.83 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 171.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 10.8 mt -68.6 -28.14 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 114.894 -1.048 . . . . 25.0 110.977 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -84.84 -32.89 23.02 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.3 -0.409 . . . . 25.0 110.785 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.592 ' HG2' ' HB3' ' B' ' 531' ' ' ASP . 56.7 tptt -75.88 -34.58 60.0 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.862 0.465 . . . . 25.0 112.156 -178.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.417 HD13 ' CG1' ' A' ' 611' ' ' ILE . 59.0 mt -68.33 -32.23 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-O 121.048 0.451 . . . . 25.0 109.79 175.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -75.64 -19.26 59.31 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.1 -0.954 . . . . 25.0 112.139 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -80.5 -41.35 24.43 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.567 0.347 . . . . 25.0 111.909 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -71.22 -42.39 69.0 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 122.878 0.471 . . . . 25.0 111.763 -176.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.48 -18.83 62.27 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.533 -0.758 . . . . 25.0 112.552 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.31 -32.4 73.78 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.723 0.409 . . . . 25.0 111.14 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -76.12 -22.91 54.97 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.541 0.336 . . . . 25.0 110.997 174.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -86.47 -17.22 34.75 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 115.591 -0.732 . . . . 25.0 110.793 174.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -84.91 -53.12 5.52 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.209 -0.45 . . . . 25.0 111.45 -176.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 47.1 mtm105 -92.21 -46.72 7.59 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.176 0.436 . . . . 25.0 112.176 -178.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.95 -21.84 24.66 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.31 0.485 . . . . 25.0 112.31 -176.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 69.35 -0.86 2.38 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.387 1.075 . . . . 25.0 112.521 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.02 -0.99 . . . . 25.0 110.807 178.048 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 112.462 -0.255 . . . . 25.0 112.462 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 41.5 t -103.99 130.19 23.86 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 122.304 0.242 . . . . 25.0 110.692 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -72.53 -19.14 25.13 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.535 2.157 . . . . 25.0 113.869 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 146.73 160.66 8.9 Favored Glycine 0 C--N 1.338 0.68 0 O-C-N 123.418 0.449 . . . . 25.0 112.585 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -106.15 129.89 23.83 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 122.296 0.238 . . . . 25.0 111.154 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . 0.422 ' HG2' HD11 ' B' ' 528' ' ' LEU . 53.0 Cg_endo -72.19 143.83 40.61 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.272 1.982 . . . . 25.0 113.185 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -107.99 134.69 50.54 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.813 -0.63 . . . . 25.0 110.445 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 129.36 51.22 0.12 Allowed Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.787 -0.642 . . . . 25.0 112.642 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 2.5 tt 60.87 118.05 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.316 1.046 . . . . 25.0 111.638 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . 0.422 HD11 ' HG2' ' B' ' 524' ' ' PRO . 98.0 mt -119.58 -4.16 10.33 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.565 -0.743 . . . . 25.0 110.408 175.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 90.4 p -163.94 -42.39 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.682 -0.69 . . . . 25.0 110.993 -178.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 145.77 70.48 0.02 OUTLIER Glycine 0 C--N 1.341 0.842 0 CA-C-N 116.045 -0.525 . . . . 25.0 112.582 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . 0.592 ' HB3' ' HG2' ' A' ' 659' ' ' LYS . 54.3 m-20 -124.52 -2.68 7.92 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.89 0.376 . . . . 25.0 111.038 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -99.66 -4.04 31.76 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.519 -0.764 . . . . 25.0 112.488 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -90.18 -20.93 22.48 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.219 -0.9 . . . . 25.0 111.407 -176.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . 0.65 ' CD2' ' HE2' ' A' ' 631' ' ' TYR . 95.4 m-85 -86.39 -15.02 41.71 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 123.136 0.272 . . . . 25.0 111.618 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 83.8 p -80.77 -26.56 37.16 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.733 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 65.8 p -90.33 -47.13 7.95 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.04 -0.527 . . . . 25.0 112.022 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . 0.505 HG22 HD21 ' A' ' 628' ' ' LEU . 17.4 mt -86.62 -41.19 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 -172.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' B' ' 534' ' ' PHE . . . -79.57 -10.64 59.83 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 112.743 0.646 . . . . 25.0 112.743 -174.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -100.2 -12.59 19.44 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.302 -0.863 . . . . 25.0 109.792 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 71.6 mtp -90.87 -27.37 18.84 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.854 -0.612 . . . . 25.0 111.169 171.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -89.85 -19.68 24.34 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.749 -0.659 . . . . 25.0 111.643 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -73.96 -24.4 59.63 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 111.646 0.239 . . . . 25.0 111.646 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.8 p -81.47 -23.57 37.34 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.806 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.08 -22.91 31.03 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.14 0.422 . . . . 25.0 112.14 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.448 HD13 ' CG ' ' A' ' 612' ' ' PHE . 46.1 mt -82.44 -14.75 54.59 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.411 0.522 . . . . 25.0 112.411 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 71.5 mt -80.94 -33.03 34.28 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.001 0.429 . . . . 25.0 110.716 176.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.6 p -76.5 -15.96 59.76 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.226 -0.897 . . . . 25.0 112.228 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 25.0 mm100 -73.5 -12.5 60.81 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 -176.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 41.0 pt -104.66 -8.47 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 112.314 0.487 . . . . 25.0 112.314 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 67.2 p -99.35 -36.2 9.68 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.383 -0.371 . . . . 25.0 111.214 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 40.2 t . . . . . 0 C--O 1.253 1.26 0 CA-C-O 118.744 -0.646 . . . . 25.0 110.984 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 112.419 -0.272 . . . . 25.0 112.419 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 57.0 t -90.36 138.66 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 109.938 -0.393 . . . . 25.0 109.938 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -92.68 122.8 35.45 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.858 -0.61 . . . . 25.0 110.755 -175.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.654 ' CD ' ' HE1' ' A' ' 591' ' ' TRP . 98.2 mttt -141.3 156.8 45.82 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.665 -0.698 . . . . 25.0 111.259 -176.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -80.12 -20.54 67.22 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 115.349 -0.841 . . . . 25.0 113.935 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.654 ' HE1' ' CD ' ' A' ' 589' ' ' LYS . 8.7 p-90 -85.06 -36.39 21.25 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.996 0.398 . . . . 25.0 111.394 177.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -65.67 -34.96 79.42 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.249 0.62 . . . . 25.0 111.568 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -86.17 -18.97 30.81 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.333 0.396 . . . . 25.0 111.583 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -88.61 -26.45 21.9 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.802 -0.636 . . . . 25.0 111.121 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.471 HG13 HD23 ' A' ' 599' ' ' LEU . 31.2 t -85.89 132.2 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 53.3 p -108.59 -176.18 2.97 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.874 -0.603 . . . . 25.0 112.073 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -79.51 -18.1 52.65 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.235 -0.893 . . . . 25.0 110.146 171.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -82.49 -26.54 32.48 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-N 115.571 -0.74 . . . . 25.0 111.598 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.471 HD23 HG13 ' A' ' 595' ' ' VAL . 44.4 tp -65.71 -50.57 64.38 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 122.877 0.11 . . . . 25.0 111.242 172.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -57.77 -23.35 51.77 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.746 0.646 . . . . 25.0 112.746 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.8 p -84.24 -32.61 24.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.331 -0.395 . . . . 25.0 111.342 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -79.55 -23.28 42.94 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.891 0.476 . . . . 25.0 110.736 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -32.54 64.95 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.901 0.88 . . . . 25.0 110.367 174.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 40.8 t -83.33 -34.38 10.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-N 114.827 -1.079 . . . . 25.0 110.666 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -72.24 -17.77 61.88 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.377 0.423 . . . . 25.0 110.521 176.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -85.76 -22.4 27.75 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.554 -0.748 . . . . 25.0 109.422 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.622 HD23 ' HB1' ' A' ' 632' ' ' ALA . 2.4 tp -86.05 -37.93 18.38 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 114.449 -1.25 . . . . 25.0 111.254 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 40.6 t -70.23 -25.25 27.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 C-N-CA 123.493 0.717 . . . . 25.0 111.372 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -79.66 -36.59 37.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.062 0.458 . . . . 25.0 110.543 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -69.67 -21.9 63.48 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.02 -0.991 . . . . 25.0 112.148 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.401 ' CG1' HD13 ' A' ' 660' ' ' ILE . 76.6 mt -96.96 -59.33 3.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.224 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -144.84 104.14 4.51 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-O 119.578 -0.249 . . . . 25.0 110.794 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.2 133.03 10.66 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 122.391 2.061 . . . . 25.0 112.46 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 14.8 m -143.44 123.82 7.86 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -50.97 -52.85 8.22 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 124.174 3.249 . . . . 25.0 114.297 171.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -80.9 122.42 81.93 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.413 -0.812 . . . . 25.0 112.465 -175.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -64.08 -10.4 23.06 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 123.038 2.492 . . . . 25.0 113.937 172.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -71.7 -28.89 64.01 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.397 0.517 . . . . 25.0 112.397 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -86.06 -15.24 41.93 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.302 -0.408 . . . . 25.0 111.457 176.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.445 ' HA ' ' HG2' ' A' ' 625' ' ' MET . 83.0 mt -91.39 -21.98 20.71 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.677 -0.692 . . . . 25.0 110.916 -176.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -104.28 14.9 29.42 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 120.916 0.388 . . . . 25.0 110.918 -178.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -83.86 167.34 17.13 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.999 -0.546 . . . . 25.0 111.592 -175.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 92.5 mtm-85 -61.75 -54.8 37.54 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.215 0.606 . . . . 25.0 112.189 -177.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -20.3 65.99 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.27 0.628 . . . . 25.0 112.68 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.445 ' HG2' ' HA ' ' A' ' 620' ' ' LEU . 37.5 tpp -88.76 -39.64 13.78 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.081 0.238 . . . . 25.0 111.437 -177.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -54.14 -20.4 6.63 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 112.83 0.678 . . . . 25.0 112.83 -177.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -68.48 -36.79 79.45 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.518 0.327 . . . . 25.0 111.63 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.521 HD21 HG22 ' B' ' 537' ' ' ILE . 13.3 mt -86.97 -33.53 19.61 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 123.306 0.379 . . . . 25.0 110.862 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.415 HG12 ' HD2' ' A' ' 633' ' ' LYS . 73.3 t -56.28 -37.31 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 122.738 0.415 . . . . 25.0 110.004 172.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.594 ' HA ' ' HB2' ' A' ' 633' ' ' LYS . . . -80.67 -18.68 47.24 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.974 -1.012 . . . . 25.0 111.348 177.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.555 ' OH ' ' HB3' ' B' ' 533' ' ' ASP . 37.8 t80 -75.13 -35.82 61.65 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.488 -0.778 . . . . 25.0 110.603 175.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.622 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -84.33 -31.34 24.87 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.964 -0.562 . . . . 25.0 111.056 175.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.594 ' HB2' ' HA ' ' A' ' 630' ' ' ALA . 65.3 mttt -64.96 -19.16 65.83 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.816 -0.629 . . . . 25.0 110.315 171.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 631' ' ' TYR . 62.4 tttm -76.11 -53.79 7.79 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.722 -1.126 . . . . 25.0 111.12 176.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 632' ' ' ALA . 15.8 m -76.16 -23.83 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 115.504 -0.771 . . . . 25.0 112.596 -166.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.473 ' HA ' ' HE2' ' A' ' 639' ' ' MET . 3.0 pp20? -69.75 -34.91 74.45 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.044 0.537 . . . . 25.0 111.081 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -82.23 -20.65 62.2 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 116.169 -0.469 . . . . 25.0 113.617 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -82.08 -18.66 42.27 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.48 0.312 . . . . 25.0 111.551 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.521 ' HE1' HD22 ' A' ' 653' ' ' LEU . 26.9 mtm -73.31 -21.04 60.66 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.37 -0.377 . . . . 25.0 111.662 178.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -75.01 -31.71 61.46 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.317 0.647 . . . . 25.0 111.709 -176.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -88.55 -23.89 23.04 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.203 -0.453 . . . . 25.0 112.007 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 76.5 p -90.37 -36.36 14.67 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.009 0.374 . . . . 25.0 112.009 -176.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.72 156.23 18.23 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.67 0.388 . . . . 25.0 111.928 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -113.02 -18.99 12.06 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.881 -0.599 . . . . 25.0 111.718 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.3 p -132.6 157.7 44.08 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.244 -0.435 . . . . 25.0 110.475 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -73.31 -17.31 61.32 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -80.92 -28.23 35.87 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.316 0.385 . . . . 25.0 110.693 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -86.28 -42.45 13.74 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.271 -0.422 . . . . 25.0 110.294 176.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -56.17 -47.59 77.97 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.975 0.91 . . . . 25.0 111.894 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -69.2 -15.85 63.48 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.147 -0.479 . . . . 25.0 112.219 176.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.24 -24.18 30.12 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 -174.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.467 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 91.7 mt -72.94 -27.17 61.68 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 118.132 0.424 . . . . 25.0 111.572 176.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.521 HD22 ' HE1' ' A' ' 639' ' ' MET . 4.0 tp -87.24 -32.84 19.53 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.324 0.39 . . . . 25.0 111.428 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -74.22 -27.14 60.64 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.794 0.437 . . . . 25.0 112.007 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -78.42 -27.8 46.68 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.11 0.256 . . . . 25.0 111.682 177.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.427 ' HD3' ' CZ ' ' B' ' 534' ' ' PHE . 69.0 mttm -71.17 -30.29 66.25 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 170.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 23.2 mt -67.95 -28.79 42.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.029 -0.987 . . . . 25.0 111.047 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -84.48 -33.83 23.51 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.266 -0.424 . . . . 25.0 110.728 178.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -76.76 -32.0 57.43 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.515 0.509 . . . . 25.0 112.156 -178.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.401 HD13 ' CG1' ' A' ' 611' ' ' ILE . 53.3 mt -68.72 -31.34 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.619 -0.512 . . . . 25.0 109.619 174.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -74.55 -19.56 60.29 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.304 -0.862 . . . . 25.0 112.296 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -78.66 -40.52 33.87 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.595 0.358 . . . . 25.0 111.412 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -67.42 -42.9 82.46 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.453 0.701 . . . . 25.0 111.931 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -73.94 -18.48 60.88 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.366 0.506 . . . . 25.0 112.366 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -64.79 -20.6 66.46 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 122.988 0.515 . . . . 25.0 112.293 -177.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -80.55 -21.36 41.82 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 120.474 0.178 . . . . 25.0 111.169 175.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -86.08 -18.17 33.14 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.064 -0.516 . . . . 25.0 110.663 174.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -86.35 -23.11 26.33 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.779 -0.646 . . . . 25.0 111.382 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -91.12 -15.03 30.09 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.22 -0.445 . . . . 25.0 111.913 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 95.0 p -84.72 -25.32 28.42 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 122.662 0.385 . . . . 25.0 111.909 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 86.0 mtt85 -124.73 77.66 1.62 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.107 0.479 . . . . 25.0 110.23 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 17.5 tp . . . . . 0 N--CA 1.486 1.333 0 C-N-CA 125.099 1.36 . . . . 25.0 114.367 -178.362 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 112.497 -0.241 . . . . 25.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 18.4 t -108.17 130.35 22.9 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-O 119.481 -0.295 . . . . 25.0 111.126 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.65 142.67 36.42 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.398 2.065 . . . . 25.0 113.349 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -138.25 -103.2 0.6 Allowed Glycine 0 C--N 1.337 0.629 0 CA-C-N 115.782 -0.645 . . . . 25.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -103.65 115.15 64.04 Favored Pre-proline 0 CA--C 1.548 0.893 0 CA-C-O 119.577 -0.249 . . . . 25.0 111.232 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.97 143.67 95.56 Favored 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 122.653 2.235 . . . . 25.0 113.209 177.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -119.0 -36.49 3.4 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.82 -0.627 . . . . 25.0 111.278 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 156.85 -121.85 1.12 Allowed Glycine 0 C--N 1.34 0.802 0 O-C-N 123.391 0.432 . . . . 25.0 112.501 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 84.9 mt -114.41 18.55 16.81 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.823 0.345 . . . . 25.0 111.257 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 16.8 mt -74.39 14.39 0.46 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -174.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 74.9 p -136.87 7.91 2.99 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.317 -0.401 . . . . 25.0 111.557 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -101.91 -63.26 0.75 Allowed Glycine 0 C--N 1.342 0.87 0 CA-C-N 116.413 -0.358 . . . . 25.0 113.072 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -113.54 -1.84 14.0 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.963 0.411 . . . . 25.0 111.372 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -102.71 -3.7 26.14 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.393 -0.821 . . . . 25.0 112.496 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . 0.555 ' HB3' ' OH ' ' A' ' 631' ' ' TYR . 11.5 m-20 -87.49 -19.39 28.02 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.541 -0.754 . . . . 25.0 111.535 -175.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . 0.534 ' CD2' ' HE2' ' A' ' 631' ' ' TYR . 96.9 m-85 -87.58 -12.34 45.99 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.787 0.327 . . . . 25.0 111.669 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 86.2 p -82.33 -38.05 24.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.885 -0.598 . . . . 25.0 111.837 -176.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 29.8 m -90.09 -41.9 11.41 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.314 0.487 . . . . 25.0 112.314 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . 0.521 HG22 HD21 ' A' ' 628' ' ' LEU . 78.2 mt -81.67 -38.49 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -171.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.41 -11.0 59.41 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.774 0.657 . . . . 25.0 112.774 -175.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -101.88 -9.34 20.81 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.513 -0.767 . . . . 25.0 110.137 174.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 73.3 mtp -95.12 -29.02 14.78 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.764 -0.653 . . . . 25.0 111.233 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -90.76 -21.03 21.75 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.796 -0.638 . . . . 25.0 111.506 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -71.97 -24.64 61.63 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 111.86 0.319 . . . . 25.0 111.86 -176.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 79.9 p -81.51 -37.35 28.0 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.046 0.387 . . . . 25.0 112.046 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.0 -21.88 31.55 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.235 -0.438 . . . . 25.0 111.66 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 39.8 mt -84.37 -14.94 48.11 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.71 -0.677 . . . . 25.0 111.643 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 56.7 mt -82.0 -28.27 32.68 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 121.256 0.55 . . . . 25.0 110.108 168.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 6.1 p -71.84 -16.08 62.15 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.618 -1.173 . . . . 25.0 112.595 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -79.06 -11.51 60.0 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.08 0.4 . . . . 25.0 112.08 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 94.2 mt -97.06 -32.58 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 116.069 -0.514 . . . . 25.0 110.289 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 66.3 p -94.67 -32.79 13.22 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.379 -0.373 . . . . 25.0 111.612 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 N--CA 1.483 1.221 0 C-N-CA 124.131 0.973 . . . . 25.0 111.983 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.551 -0.22 . . . . 25.0 112.551 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 95.1 t -90.3 143.21 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 109.921 -0.399 . . . . 25.0 109.921 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -92.17 124.15 36.04 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.028 -0.533 . . . . 25.0 110.656 -176.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -127.44 132.2 50.1 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.13 -0.487 . . . . 25.0 111.146 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -80.37 -21.89 63.77 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-N 115.813 -0.63 . . . . 25.0 113.633 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -84.31 -24.75 29.69 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.76 0.424 . . . . 25.0 112.026 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -74.7 -13.25 60.59 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 116.251 -0.432 . . . . 25.0 111.266 175.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -83.72 -30.46 26.69 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.375 0.509 . . . . 25.0 112.375 -177.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -103.47 -22.64 13.61 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.406 ' HA ' HD12 ' A' ' 599' ' ' LEU . 77.7 t -81.16 128.37 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 120.834 0.349 . . . . 25.0 110.105 178.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 53.3 p -111.13 -175.13 2.63 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.536 -0.757 . . . . 25.0 111.546 -177.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -69.6 -18.81 63.65 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.393 -0.821 . . . . 25.0 110.381 168.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -82.49 -37.5 25.23 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 115.829 -0.623 . . . . 25.0 112.299 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 595' ' ' VAL . 7.8 mt -60.31 -47.54 85.58 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 111.967 0.358 . . . . 25.0 111.967 175.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -60.36 -30.01 69.29 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.972 0.509 . . . . 25.0 111.782 -175.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.7 p -76.97 -27.3 54.71 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.524 -0.762 . . . . 25.0 111.548 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . 0.458 ' HA ' ' HB2' ' A' ' 605' ' ' HIS . 61.5 m170 -85.92 -21.4 27.97 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.663 0.385 . . . . 25.0 110.575 176.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 60.9 mt -76.29 -34.47 59.08 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.69 -0.686 . . . . 25.0 109.695 172.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 39.7 t -73.7 -35.01 42.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 115.134 -0.939 . . . . 25.0 110.819 172.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.458 ' HB2' ' HA ' ' A' ' 602' ' ' HIS . 2.8 m-70 -74.47 -17.19 60.81 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.407 0.283 . . . . 25.0 110.919 177.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -85.18 -25.52 27.34 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.985 0.898 . . . . 25.0 109.017 174.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.8 mt -86.54 -43.63 12.57 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 113.328 -1.76 . . . . 25.0 111.322 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 78.7 t -70.4 -25.6 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.614 0.766 . . . . 25.0 111.35 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -84.82 -29.14 25.62 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.519 0.2 . . . . 25.0 111.333 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -71.39 -33.67 69.7 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.044 173.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.519 HG12 HG21 ' A' ' 660' ' ' ILE . 97.0 mt -76.54 -52.37 17.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 115.801 -0.636 . . . . 25.0 109.34 174.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -143.95 116.03 5.64 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 116.37 -0.377 . . . . 25.0 110.661 172.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.11 125.36 11.87 Favored 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.214 1.942 . . . . 25.0 112.375 175.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 77.0 p -100.48 113.52 65.51 Favored Pre-proline 0 CA--C 1.535 0.369 0 N-CA-C 112.899 0.703 . . . . 25.0 112.899 -175.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -62.24 -51.93 3.11 Favored 'Trans proline' 0 C--N 1.368 1.587 0 C-N-CA 123.4 2.733 . . . . 25.0 112.493 166.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -106.42 123.13 39.81 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 114.726 -1.124 . . . . 25.0 111.441 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -61.6 -10.14 15.66 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 123.043 2.495 . . . . 25.0 113.966 173.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.12 -8.14 56.99 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.631 0.604 . . . . 25.0 112.631 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -80.48 -9.25 59.77 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.054 0.391 . . . . 25.0 112.054 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 81.4 mt -84.74 0.4 50.69 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.996 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -105.5 14.44 28.62 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 121.031 0.443 . . . . 25.0 110.564 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -89.42 157.15 18.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.853 -0.612 . . . . 25.0 110.843 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 14.9 mmp_? -79.4 -38.43 34.86 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.484 -0.78 . . . . 25.0 110.855 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 -69.7 -27.27 64.86 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.954 -1.021 . . . . 25.0 112.421 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 54.3 ttm -90.03 -37.48 14.27 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 123.283 0.364 . . . . 25.0 111.485 -177.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -56.09 -21.55 22.78 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.308 0.643 . . . . 25.0 112.679 -177.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -73.21 -34.53 65.98 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.081 0.4 . . . . 25.0 112.081 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.414 HD21 HG22 ' B' ' 537' ' ' ILE . 94.5 mt -86.29 -31.56 21.55 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 123.14 0.275 . . . . 25.0 110.44 178.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.6 -34.51 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.062 0.545 . . . . 25.0 110.292 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -78.8 -18.88 53.38 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.213 -0.903 . . . . 25.0 111.795 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -78.68 -37.6 41.36 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.11 -0.495 . . . . 25.0 110.138 172.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.404 ' HA ' ' HB ' ' A' ' 635' ' ' VAL . . . -79.22 -33.64 43.54 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.519 0.512 . . . . 25.0 111.845 -177.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -64.99 -30.42 71.41 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.208 0.603 . . . . 25.0 111.689 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.407 ' HE3' ' OD2' ' A' ' 638' ' ' ASP . 47.4 tptt -82.95 -31.4 27.69 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.412 -0.813 . . . . 25.0 110.245 174.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' A' ' 632' ' ' ALA . 1.2 t -73.15 -21.26 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 115.027 -0.988 . . . . 25.0 112.505 -173.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -82.31 -30.77 30.31 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 122.437 0.295 . . . . 25.0 110.726 176.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -81.25 -27.76 47.46 Favored Glycine 0 C--N 1.346 1.097 0 N-CA-C 114.506 0.562 . . . . 25.0 114.506 -173.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . 0.407 ' OD2' ' HE3' ' A' ' 634' ' ' LYS . 97.1 m-20 -72.89 -18.85 61.38 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 117.003 0.402 . . . . 25.0 112.015 179.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.551 ' SD ' ' HB3' ' A' ' 653' ' ' LEU . 61.4 mtt -75.73 -20.52 58.28 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.945 -0.571 . . . . 25.0 112.467 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.597 ' CE2' ' HG3' ' A' ' 641' ' ' GLU . 0.0 OUTLIER -74.51 -28.91 61.2 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.162 -0.472 . . . . 25.0 111.552 -177.626 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.597 ' HG3' ' CE2' ' A' ' 640' ' ' TYR . 92.9 mt-10 -88.9 -21.81 23.44 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.165 -0.47 . . . . 25.0 112.029 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 34.7 m -92.47 -45.33 8.2 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -175.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -83.09 147.98 27.79 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.805 0.298 . . . . 25.0 111.805 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -105.74 -17.77 14.28 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.896 -0.593 . . . . 25.0 111.468 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 79.8 p -131.76 163.33 28.44 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.666 0.27 . . . . 25.0 110.917 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -72.92 -29.47 63.14 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.962 -175.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -81.37 -23.97 37.33 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.511 0.324 . . . . 25.0 111.871 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -85.56 -38.8 18.09 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.819 -0.437 . . . . 25.0 109.819 176.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . 0.46 ' HD2' ' CE2' ' A' ' 650' ' ' TYR . 71.4 t80 -55.26 -49.2 72.64 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.808 0.843 . . . . 25.0 111.78 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.577 ' HA ' HD23 ' A' ' 653' ' ' LEU . 21.2 m-30 -68.96 -15.92 63.61 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 112.66 0.615 . . . . 25.0 112.66 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.2 -24.75 34.76 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.687 0.625 . . . . 25.0 112.687 -174.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 95.0 mt -71.84 -31.67 66.74 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.006 0.372 . . . . 25.0 112.006 176.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.577 HD23 ' HA ' ' A' ' 650' ' ' TYR . 0.3 OUTLIER -86.08 -31.25 22.01 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.439 0.296 . . . . 25.0 111.639 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.464 ' N ' ' HG ' ' A' ' 653' ' ' LEU . . . -72.35 -28.65 63.18 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.716 0.406 . . . . 25.0 111.957 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 659' ' ' LYS . 95.7 mt-10 -78.81 -26.0 44.24 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.057 0.391 . . . . 25.0 112.057 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.4 ' HG3' ' CD1' ' A' ' 660' ' ' ILE . 50.9 tptt -74.03 -29.48 61.95 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 109.326 -0.62 . . . . 25.0 109.326 169.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 7.8 mt -68.84 -38.93 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.61 -0.723 . . . . 25.0 111.061 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -84.21 -26.15 28.94 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.942 0.401 . . . . 25.0 110.446 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 655' ' ' GLU . 81.7 mttt -79.35 -29.5 42.26 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.251 -0.886 . . . . 25.0 112.043 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.519 HG21 HG12 ' A' ' 611' ' ' ILE . 62.0 mt -80.2 -23.55 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 121.043 0.449 . . . . 25.0 110.059 175.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -70.45 -19.2 62.98 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.956 174.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -74.74 -41.91 59.25 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.904 0.482 . . . . 25.0 111.956 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -70.43 -46.75 63.29 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.376 0.671 . . . . 25.0 112.686 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.5 -21.44 60.15 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 112.303 0.482 . . . . 25.0 112.303 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -86.43 -18.78 30.86 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 122.556 0.342 . . . . 25.0 111.02 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -76.14 -26.2 56.08 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.244 0.34 . . . . 25.0 111.278 177.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -86.15 -18.2 32.9 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.991 -0.55 . . . . 25.0 111.284 176.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -79.83 -33.4 40.3 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.235 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 87.3 mtm-85 -91.49 -8.62 47.12 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.296 -0.411 . . . . 25.0 111.319 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 91.8 p -90.12 -32.02 16.85 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.984 0.365 . . . . 25.0 111.984 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -100.7 -8.61 22.65 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 123.137 0.273 . . . . 25.0 111.516 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 117.953 -1.022 . . . . 25.0 110.745 178.668 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.506 -0.238 . . . . 25.0 112.506 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 11.8 t -123.55 131.23 24.28 Favored Pre-proline 0 CA--C 1.541 0.608 0 O-C-N 123.653 0.266 . . . . 25.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -72.68 -20.1 23.46 Favored 'Trans proline' 0 C--N 1.376 2.023 0 C-N-CA 122.401 2.067 . . . . 25.0 114.322 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 112.93 125.35 4.38 Favored Glycine 0 C--N 1.341 0.851 0 O-C-N 123.369 0.418 . . . . 25.0 112.792 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -129.28 90.63 44.2 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 122.363 0.265 . . . . 25.0 110.748 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.12 105.44 1.96 Allowed 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.552 2.168 . . . . 25.0 112.776 178.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -136.23 141.59 43.98 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.711 -0.677 . . . . 25.0 110.887 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 155.38 80.09 0.03 OUTLIER Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.931 -0.577 . . . . 25.0 112.623 179.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 92.4 mt -108.67 -154.96 0.54 Allowed 'General case' 0 CA--C 1.538 0.506 0 O-C-N 123.655 0.268 . . . . 25.0 110.81 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 94.4 mt 51.6 58.03 5.92 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 124.455 1.102 . . . . 25.0 110.085 -172.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 34.4 t 58.27 96.93 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 113.98 -1.464 . . . . 25.0 111.854 -178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -150.97 -46.03 0.02 OUTLIER Glycine 0 C--N 1.337 0.601 0 CA-C-N 115.224 -0.898 . . . . 25.0 112.494 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -122.0 -6.86 8.95 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.99 0.424 . . . . 25.0 110.85 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -101.53 -4.08 27.35 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.365 -0.834 . . . . 25.0 112.249 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -86.24 -9.79 55.84 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.025 -0.989 . . . . 25.0 111.583 -176.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -83.53 -15.12 50.52 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 111.951 0.352 . . . . 25.0 111.951 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 96.9 p -80.7 -23.47 39.5 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.913 -0.585 . . . . 25.0 110.908 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 89.7 p -90.43 -41.57 11.38 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.98 -0.554 . . . . 25.0 112.21 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . 0.414 HG22 HD21 ' A' ' 628' ' ' LEU . 96.0 mt -85.96 -43.34 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 111.798 0.296 . . . . 25.0 111.798 -173.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -77.9 -10.47 59.59 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.453 0.538 . . . . 25.0 112.453 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -101.1 -7.11 23.49 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.336 -0.847 . . . . 25.0 110.138 175.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 57.7 ttm -95.79 -30.54 13.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.961 -0.563 . . . . 25.0 111.158 171.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . 0.506 ' O ' ' HB2' ' B' ' 545' ' ' LEU . 28.4 m-20 -88.79 -19.51 25.9 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.977 -0.556 . . . . 25.0 112.338 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -75.51 -21.22 58.17 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 111.916 0.339 . . . . 25.0 111.916 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 88.5 p -81.58 -37.18 28.1 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.06 0.393 . . . . 25.0 112.06 -177.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -81.81 -21.63 37.55 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.804 0.442 . . . . 25.0 111.196 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' B' ' 541' ' ' ASP . 1.5 mp -77.89 -18.59 56.0 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 115.356 -0.838 . . . . 25.0 111.703 -178.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 69.7 mt -87.91 -28.04 21.78 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.984 0.421 . . . . 25.0 111.181 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 77.2 p -74.64 -16.57 60.77 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.33 -0.85 . . . . 25.0 112.4 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -88.51 -14.83 36.82 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -178.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 74.5 mt -105.08 -25.54 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 116.027 -0.533 . . . . 25.0 112.05 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 93.3 p -97.88 -39.46 8.98 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.199 0.312 . . . . 25.0 111.359 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 117.915 -1.04 . . . . 25.0 110.924 -179.924 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.589 -0.204 . . . . 25.0 112.589 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 90.5 t -90.42 135.36 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 110.085 -0.339 . . . . 25.0 110.085 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -91.08 124.85 35.62 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.981 -0.554 . . . . 25.0 110.568 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -114.24 125.01 53.43 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.769 -0.65 . . . . 25.0 111.358 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -82.25 -26.5 47.75 Favored Glycine 0 C--N 1.34 0.766 0 CA-C-N 115.555 -0.748 . . . . 25.0 113.017 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -84.51 -31.56 24.4 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.149 0.58 . . . . 25.0 112.285 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -67.47 -32.19 72.86 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.428 0.291 . . . . 25.0 111.614 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -87.99 -10.68 49.67 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.285 0.366 . . . . 25.0 111.486 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -103.06 -26.71 12.95 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.916 -0.584 . . . . 25.0 111.462 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.449 HG22 HD12 ' A' ' 599' ' ' LEU . 21.4 t -85.01 127.23 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 178.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 64.0 p -104.63 175.54 5.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.784 -0.644 . . . . 25.0 111.851 -176.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -66.2 -18.94 65.66 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.039 -0.982 . . . . 25.0 110.046 166.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -82.07 -30.97 31.04 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.938 -0.573 . . . . 25.0 111.926 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.449 HD12 HG22 ' A' ' 595' ' ' VAL . 9.7 mt -67.25 -44.66 78.87 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 117.593 0.179 . . . . 25.0 111.252 174.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -53.83 -32.45 52.91 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.923 0.392 . . . . 25.0 111.18 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 66.1 p -85.04 -30.93 23.72 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.142 -0.935 . . . . 25.0 111.96 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -77.8 -36.17 50.64 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.6 0.36 . . . . 25.0 111.651 -176.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 607' ' ' LEU . 86.2 mt -63.46 -29.91 71.12 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 122.988 0.515 . . . . 25.0 111.838 172.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 82.4 t -82.3 -26.78 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 CA-C-N 115.472 -0.785 . . . . 25.0 110.174 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -83.71 -18.39 38.07 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.241 -0.436 . . . . 25.0 110.307 173.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -86.15 -21.9 27.31 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.404 -0.816 . . . . 25.0 109.25 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.594 HD23 ' HB1' ' A' ' 632' ' ' ALA . 1.1 tp -86.73 -49.12 7.69 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 114.285 -1.325 . . . . 25.0 111.709 -178.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.63 -25.55 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.298 0.639 . . . . 25.0 111.682 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -83.16 -29.31 28.72 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 120.527 0.203 . . . . 25.0 111.284 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -77.65 -32.28 53.16 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.912 -0.586 . . . . 25.0 111.53 176.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.674 HG12 HG21 ' A' ' 660' ' ' ILE . 87.1 mt -78.78 -55.65 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 116.282 -0.417 . . . . 25.0 110.012 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' B' ' 545' ' ' LEU . 59.7 t80 -138.01 103.54 8.18 Favored Pre-proline 0 CA--C 1.549 0.917 0 O-C-N 123.236 0.335 . . . . 25.0 110.506 175.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -79.06 135.56 12.41 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.509 2.139 . . . . 25.0 112.549 173.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 2.5 t -151.99 127.54 4.94 Favored Pre-proline 0 CA--C 1.544 0.739 0 CA-C-N 116.407 -0.36 . . . . 25.0 111.909 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -49.1 -55.02 4.55 Favored 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 124.065 3.176 . . . . 25.0 114.533 173.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -73.65 116.38 51.13 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.514 -176.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -66.43 -10.53 28.03 Favored 'Trans proline' 0 C--N 1.375 1.933 0 C-N-CA 122.775 2.316 . . . . 25.0 113.814 173.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -72.74 -11.98 60.83 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -178.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.07 -14.97 52.73 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.696 0.398 . . . . 25.0 111.848 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 88.8 mt -83.34 -6.89 59.61 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.062 -0.517 . . . . 25.0 112.182 -176.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -106.43 14.91 26.66 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.108 0.48 . . . . 25.0 110.544 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -79.4 165.44 23.1 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.859 -0.61 . . . . 25.0 111.297 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 96.6 mtm-85 -72.31 -54.68 8.81 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 122.848 0.459 . . . . 25.0 111.67 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.493 HH11 ' HB2' ' B' ' 544' ' ' ALA . 95.7 mtt180 -69.07 -27.03 65.27 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.883 0.697 . . . . 25.0 112.883 -177.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -78.52 -38.83 39.73 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 111.636 0.236 . . . . 25.0 111.636 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.87 -20.03 20.85 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.103 0.561 . . . . 25.0 112.124 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -71.85 -35.96 70.01 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.9 0.48 . . . . 25.0 111.913 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.51 HD11 ' CB ' ' B' ' 541' ' ' ASP . 0.6 OUTLIER -86.47 -28.83 23.23 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 110.495 -0.187 . . . . 25.0 110.495 178.396 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.47 -32.76 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.013 0.525 . . . . 25.0 109.968 170.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -82.11 -18.94 41.23 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.786 -1.097 . . . . 25.0 111.454 177.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.47 ' CD1' ' HA ' ' A' ' 628' ' ' LEU . 12.3 m-30 -75.93 -37.12 59.05 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.769 -0.651 . . . . 25.0 110.982 173.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.594 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -84.71 -24.43 28.92 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.255 0.347 . . . . 25.0 111.485 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -66.41 -31.22 71.85 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.193 0.597 . . . . 25.0 112.142 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -87.22 -24.62 24.36 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.826 1.047 . . . . 25.0 113.826 -177.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 5.1 t -69.49 -51.68 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 112.963 0.727 . . . . 25.0 112.963 -170.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -63.84 -20.42 65.79 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.887 0.699 . . . . 25.0 112.887 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -76.52 -24.98 66.49 Favored Glycine 0 C--N 1.343 0.96 0 O-C-N 123.276 0.36 . . . . 25.0 112.76 174.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -87.5 -19.45 27.92 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.889 0.476 . . . . 25.0 110.651 176.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.421 ' HB3' ' HE3' ' A' ' 639' ' ' MET . 4.3 mtp -70.68 -22.27 62.49 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.189 0.596 . . . . 25.0 112.232 178.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -73.99 -30.81 62.67 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.116 0.567 . . . . 25.0 111.57 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -88.58 -24.58 22.82 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.921 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 52.1 m -92.45 -35.28 13.74 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.131 0.419 . . . . 25.0 112.131 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -94.99 138.61 32.49 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.132 0.27 . . . . 25.0 111.408 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -107.69 -9.32 15.86 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.941 -0.572 . . . . 25.0 111.87 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 6.6 p -132.97 156.33 47.49 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.227 -0.442 . . . . 25.0 110.452 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 54.0 ptt85 -76.35 -18.32 58.96 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.888 -0.596 . . . . 25.0 111.555 -177.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -80.88 -25.29 37.71 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.332 0.395 . . . . 25.0 111.206 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -86.75 -45.27 11.09 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.011 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -53.9 -52.43 60.53 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.561 0.744 . . . . 25.0 111.4 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -72.06 -15.88 62.02 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.109 0.781 . . . . 25.0 113.109 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -83.1 -40.9 19.23 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 122.992 0.182 . . . . 25.0 110.872 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 73.6 mt -59.51 -42.87 93.18 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.76 0.824 . . . . 25.0 112.568 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 653' ' ' LEU . 0.4 OUTLIER -74.28 -23.44 59.11 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.527 0.565 . . . . 25.0 112.527 176.483 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -84.8 -32.73 23.19 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 177.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -83.7 -21.32 32.39 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.076 0.235 . . . . 25.0 111.402 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -71.51 -31.49 67.13 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 167.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 5.4 mt -68.41 -29.93 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 114.775 -1.102 . . . . 25.0 109.862 173.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . 0.423 ' O ' ' HB2' ' A' ' 662' ' ' LYS . 87.4 t80 -85.12 -30.64 23.84 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.645 -0.707 . . . . 25.0 110.786 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.487 ' HE2' ' OE2' ' A' ' 663' ' ' GLU . 88.1 tttt -72.33 -40.57 67.33 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.554 0.576 . . . . 25.0 112.554 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.674 HG21 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -67.86 -31.86 53.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 CA-C-N 115.572 -0.74 . . . . 25.0 110.043 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -75.5 -21.69 57.81 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.879 -0.601 . . . . 25.0 111.781 172.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 658' ' ' TYR . 61.4 tttm -85.21 -46.82 10.7 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.885 1.274 . . . . 25.0 110.972 -176.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.487 ' OE2' ' HE2' ' A' ' 659' ' ' LYS . 97.3 mt-10 -62.95 -41.14 99.41 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.572 -0.74 . . . . 25.0 112.682 -178.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 668' ' ' ARG . 85.9 mt -60.99 -28.79 69.27 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.356 0.502 . . . . 25.0 112.356 174.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -77.24 -21.89 53.06 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 122.517 0.327 . . . . 25.0 111.49 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -78.1 -22.69 48.57 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.191 -0.459 . . . . 25.0 110.753 174.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.411 ' HG3' ' OD2' ' B' ' 539' ' ' ASP . 46.9 mmtm -86.53 -17.94 32.79 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.688 -0.687 . . . . 25.0 110.615 176.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 664' ' ' LEU . 88.2 mtt-85 -81.58 -18.92 43.14 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.66 -0.7 . . . . 25.0 111.467 -177.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -85.4 -24.44 27.52 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.404 -0.362 . . . . 25.0 111.188 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 54.3 p -91.12 -30.1 16.91 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.304 0.377 . . . . 25.0 111.384 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -153.27 104.91 2.82 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 41.2 tp . . . . . 0 C--O 1.25 1.115 0 CA-C-N 114.988 -1.005 . . . . 25.0 112.554 178.682 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.434 -0.267 . . . . 25.0 112.434 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 28.1 t -115.37 130.79 24.0 Favored Pre-proline 0 CA--C 1.541 0.615 0 CA-C-O 119.478 -0.296 . . . . 25.0 110.922 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -72.81 140.53 32.25 Favored 'Trans proline' 0 C--N 1.374 1.915 0 C-N-CA 122.408 2.072 . . . . 25.0 113.324 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -130.37 -148.49 6.39 Favored Glycine 0 C--N 1.338 0.639 0 CA-C-N 115.916 -0.584 . . . . 25.0 112.894 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -117.79 103.14 50.83 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 122.493 0.317 . . . . 25.0 111.124 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -67.91 131.57 24.32 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.563 2.175 . . . . 25.0 112.706 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -121.39 -37.48 2.91 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.985 -0.552 . . . . 25.0 111.821 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -121.94 -49.59 0.25 Allowed Glycine 0 C--N 1.341 0.806 0 C-N-CA 121.351 -0.452 . . . . 25.0 112.873 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 82.4 mt -113.55 125.05 53.77 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.858 0.361 . . . . 25.0 110.096 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 5.0 tp -116.94 -9.57 11.12 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.524 -0.762 . . . . 25.0 110.271 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 45.6 p -155.36 -48.73 0.08 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.766 -0.652 . . . . 25.0 111.265 -176.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 102.93 91.26 2.18 Favored Glycine 0 C--N 1.343 0.94 0 O-C-N 123.466 0.479 . . . . 25.0 112.672 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -131.52 -6.19 3.71 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.859 0.361 . . . . 25.0 110.676 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -95.92 -5.28 41.79 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.685 -0.688 . . . . 25.0 112.036 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -91.43 -9.74 43.52 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.867 -1.06 . . . . 25.0 111.383 -178.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -68.5 -11.31 59.67 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.119 0.785 . . . . 25.0 113.119 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 88.5 p -71.72 -33.39 68.69 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.317 -0.856 . . . . 25.0 111.549 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 78.3 p -90.19 -31.15 17.16 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.112 0.412 . . . . 25.0 112.112 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 91.9 mt -87.19 -33.76 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 -174.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.44 -11.42 59.25 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . 0.411 ' OD2' ' HG3' ' A' ' 667' ' ' LYS . 64.7 m-20 -100.67 -7.17 24.15 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.369 -0.832 . . . . 25.0 109.626 174.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 56.5 ttm -97.39 -32.07 12.05 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.077 -0.965 . . . . 25.0 109.804 174.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . 0.558 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 50.3 m-20 -89.69 -20.14 23.99 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.178 -0.919 . . . . 25.0 111.851 -178.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -73.32 -27.59 61.6 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 122.154 0.182 . . . . 25.0 111.095 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.9 p -82.04 -26.38 33.81 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.05 -0.523 . . . . 25.0 111.723 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . 0.493 ' HB2' HH11 ' A' ' 624' ' ' ARG . . . -82.91 -22.17 33.98 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.909 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 40.5 mt -82.58 -14.83 54.16 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.495 0.554 . . . . 25.0 112.495 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 88.3 mt -72.64 -29.94 63.88 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 120.858 0.361 . . . . 25.0 111.293 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.9 p -75.56 -16.23 60.28 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.377 -0.828 . . . . 25.0 111.936 177.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . 0.513 ' NE2' HD23 ' B' ' 545' ' ' LEU . 95.1 mt-30 -73.53 -11.25 60.38 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.581 0.585 . . . . 25.0 112.581 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 89.5 mt -91.56 -32.23 5.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 115.947 -0.57 . . . . 25.0 110.67 -178.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 61.8 p -89.98 -37.02 14.63 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.327 0.392 . . . . 25.0 111.732 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.823 -0.608 . . . . 25.0 110.955 179.314 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.456 -0.257 . . . . 25.0 112.456 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 63.9 t -90.41 144.63 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 109.983 -0.377 . . . . 25.0 109.983 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.498 ' HD2' ' OE2' ' A' ' 593' ' ' GLU . 68.4 ttp85 -91.77 123.65 35.32 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.868 -0.606 . . . . 25.0 110.726 -175.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -127.25 -172.29 2.62 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.431 -0.804 . . . . 25.0 110.926 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -64.44 -36.11 92.78 Favored Glycine 0 C--N 1.348 1.201 0 N-CA-C 114.302 0.481 . . . . 25.0 114.302 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.649 ' NE1' HG21 ' A' ' 595' ' ' VAL . 13.6 t90 -70.74 -33.59 70.98 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 112.554 0.576 . . . . 25.0 112.554 -177.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -72.64 -13.35 61.35 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 116.55 -0.295 . . . . 25.0 111.401 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.498 ' OE2' ' HD2' ' A' ' 588' ' ' ARG . 70.0 mm-40 -82.26 -29.25 31.35 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.153 0.427 . . . . 25.0 112.153 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -106.69 -24.84 11.99 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.043 0.757 . . . . 25.0 113.043 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.649 HG21 ' NE1' ' A' ' 591' ' ' TRP . 77.3 t -79.38 125.11 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 178.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 80.3 p -112.78 -176.06 2.82 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.953 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -69.94 -19.04 63.4 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.105 -0.952 . . . . 25.0 109.689 166.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -81.97 -44.88 16.14 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.056 -0.52 . . . . 25.0 111.295 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.572 HD23 HG22 ' A' ' 595' ' ' VAL . 63.4 tp -59.43 -45.03 92.72 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 111.902 0.334 . . . . 25.0 111.902 175.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.528 ' HG2' ' OE2' ' A' ' 636' ' ' GLU . 85.6 mtp180 -62.07 -23.48 66.53 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 -177.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 58.4 p -83.56 -28.62 28.45 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.051 -0.522 . . . . 25.0 110.763 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -78.98 -22.54 45.44 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.459 0.703 . . . . 25.0 111.574 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 71.4 mt -80.89 -35.17 32.93 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.541 -0.754 . . . . 25.0 109.822 175.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 50.6 t -75.04 -30.79 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 CA-C-N 115.051 -0.977 . . . . 25.0 110.71 172.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.584 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 64.2 t60 -78.43 -17.88 55.75 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.554 0.342 . . . . 25.0 110.942 177.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -85.21 -24.91 27.65 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 122.104 0.954 . . . . 25.0 109.18 174.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.542 ' CD2' ' HB1' ' A' ' 632' ' ' ALA . 17.4 tp -87.6 -38.23 16.12 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 113.108 -1.86 . . . . 25.0 111.885 -173.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 40.6 t -72.63 -27.49 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.18 0.592 . . . . 25.0 111.33 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 97.1 mm-40 -80.17 -36.0 35.66 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-O 120.931 0.396 . . . . 25.0 110.664 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.461 ' CB ' HG12 ' A' ' 657' ' ' ILE . . . -64.28 -34.12 77.39 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.158 -0.928 . . . . 25.0 111.839 174.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.586 HG12 HG21 ' A' ' 660' ' ' ILE . 96.0 mt -80.22 -56.15 7.29 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 N-CA-C 109.452 -0.574 . . . . 25.0 109.452 176.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.423 ' CD2' HD13 ' B' ' 545' ' ' LEU . 76.6 t80 -141.31 113.8 6.78 Favored Pre-proline 0 CA--C 1.549 0.923 0 O-C-N 123.322 0.389 . . . . 25.0 110.206 173.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.12 140.49 92.66 Favored 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.472 2.115 . . . . 25.0 112.758 175.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 86.2 m -99.53 115.01 65.96 Favored Pre-proline 0 C--O 1.236 0.366 0 N-CA-C 113.002 0.741 . . . . 25.0 113.002 -176.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.474 ' HG2' HD13 ' B' ' 549' ' ' ILE . 50.0 Cg_exo -69.13 -55.61 0.19 Allowed 'Trans proline' 0 C--N 1.367 1.525 0 C-N-CA 123.215 2.61 . . . . 25.0 112.382 166.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -127.68 141.51 41.25 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 115.353 -0.839 . . . . 25.0 111.544 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -58.9 -13.21 17.54 Favored 'Trans proline' 0 C--N 1.371 1.759 0 C-N-CA 124.023 3.149 . . . . 25.0 114.113 173.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.44 -34.96 58.74 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.688 0.395 . . . . 25.0 111.794 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.44 -26.64 61.03 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.079 0.466 . . . . 25.0 110.909 173.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 18.4 tp -81.93 -10.14 59.37 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.004 -0.998 . . . . 25.0 111.711 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -102.88 14.54 31.7 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.232 -0.44 . . . . 25.0 110.494 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -82.53 161.91 22.18 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.755 -0.657 . . . . 25.0 111.148 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.5 mmp_? -79.28 -39.8 32.07 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.615 -0.721 . . . . 25.0 110.626 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -68.01 -24.8 65.15 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 114.74 -1.118 . . . . 25.0 112.178 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -88.35 -38.21 15.32 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.332 -0.395 . . . . 25.0 111.141 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -55.92 -20.3 15.42 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.427 0.691 . . . . 25.0 112.395 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -69.99 -36.05 74.86 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.479 0.548 . . . . 25.0 112.479 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.535 HD22 ' HE1' ' B' ' 534' ' ' PHE . 16.0 mt -86.58 -29.25 22.76 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 110.589 -0.152 . . . . 25.0 110.589 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 73.3 t -56.87 -35.46 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 120.99 0.424 . . . . 25.0 109.867 171.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -75.74 -18.81 59.43 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.109 -0.95 . . . . 25.0 111.36 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.482 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 60.1 t80 -78.82 -35.17 44.52 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.613 -0.721 . . . . 25.0 110.74 172.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.542 ' HB1' ' CD2' ' A' ' 607' ' ' LEU . . . -83.48 -29.05 28.3 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.405 0.44 . . . . 25.0 111.458 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -64.92 -38.81 92.21 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.261 0.553 . . . . 25.0 111.341 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -77.21 -28.81 53.95 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 114.706 -1.134 . . . . 25.0 111.002 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.436 ' HB ' ' HA ' ' A' ' 632' ' ' ALA . 1.2 t -74.4 -44.33 48.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 115.369 -0.832 . . . . 25.0 112.11 -170.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.528 ' OE2' ' HG2' ' A' ' 600' ' ' ARG . 12.1 tm-20 -65.73 -29.01 69.47 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.126 0.57 . . . . 25.0 111.356 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -74.84 -19.04 80.09 Favored Glycine 0 C--N 1.344 0.986 0 CA-C-N 116.116 -0.493 . . . . 25.0 113.358 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -79.18 -19.26 51.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.836 0.454 . . . . 25.0 111.099 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.592 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 14.2 mtt -76.02 -24.17 55.23 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.445 0.535 . . . . 25.0 112.445 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -27.54 50.66 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.349 -0.387 . . . . 25.0 111.3 -177.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -88.73 -21.4 23.87 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.901 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 70.1 m -94.59 -46.0 7.15 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.841 0.312 . . . . 25.0 111.841 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -88.75 152.19 21.94 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.857 0.318 . . . . 25.0 111.857 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -116.87 -9.04 11.26 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.066 -0.515 . . . . 25.0 112.03 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 49.4 m -132.34 155.97 47.44 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 122.557 0.343 . . . . 25.0 110.475 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.584 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 1.5 ptt-85 -70.26 -24.8 63.12 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -177.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -81.44 -25.15 36.38 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.193 0.308 . . . . 25.0 111.278 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 651' ' ' HIS . 36.1 mm-40 -86.38 -46.8 9.92 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.069 176.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . 0.478 ' OH ' ' OE2' ' A' ' 636' ' ' GLU . 74.2 t80 -53.96 -54.1 43.67 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.926 0.89 . . . . 25.0 111.764 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 646' ' ' ARG . 22.6 m-85 -64.01 -15.13 58.69 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 176.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' A' ' 648' ' ' GLU . 84.7 t60 -81.84 -43.36 18.34 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 119.331 -0.366 . . . . 25.0 111.858 -177.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.45 ' HB2' ' HG2' ' A' ' 639' ' ' MET . 97.1 mt -59.79 -23.04 62.98 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.159 0.8 . . . . 25.0 113.159 -178.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.592 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 51.4 tp -87.66 -39.94 14.59 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 110.51 -0.181 . . . . 25.0 110.51 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.467 ' O ' ' CD1' ' A' ' 658' ' ' TYR . . . -69.83 -25.16 63.62 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.495 0.497 . . . . 25.0 111.492 175.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.78 -35.63 29.37 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.143 176.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 652' ' ' LEU . 31.9 mttt -71.88 -22.34 61.52 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.461 0.476 . . . . 25.0 109.718 173.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.461 HG12 ' CB ' ' A' ' 610' ' ' ALA . 2.0 mt -72.87 -29.99 31.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 115.604 -0.725 . . . . 25.0 110.253 176.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . 0.467 ' CD1' ' O ' ' A' ' 654' ' ' ALA . 27.9 m-85 -85.11 -30.91 23.65 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.337 -0.392 . . . . 25.0 111.156 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -76.64 -34.58 58.31 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.586 HG21 HG12 ' A' ' 611' ' ' ILE . 97.5 mt -73.34 -32.81 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.762 -0.459 . . . . 25.0 109.762 176.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -67.52 -20.04 65.38 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.493 -0.776 . . . . 25.0 112.273 174.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -72.89 -36.97 67.43 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.867 0.467 . . . . 25.0 111.764 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -69.89 -48.02 60.29 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.568 0.747 . . . . 25.0 111.489 -177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 98.7 mt -68.27 -18.85 64.64 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.591 0.589 . . . . 25.0 112.591 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . 0.445 ' HA ' ' HD2' ' A' ' 668' ' ' ARG . 44.8 tp10 -82.24 -19.06 40.42 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.442 0.297 . . . . 25.0 111.07 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -75.86 -27.87 57.97 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 122.644 0.377 . . . . 25.0 111.635 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -86.16 -18.1 33.16 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.095 -0.502 . . . . 25.0 111.441 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . 0.445 ' HD2' ' HA ' ' A' ' 665' ' ' GLU . 78.3 mtt180 -76.88 -32.13 57.24 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.989 -0.55 . . . . 25.0 111.375 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -91.6 -12.2 34.98 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.327 0.392 . . . . 25.0 111.829 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 87.0 p -98.44 -23.85 15.4 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.045 0.387 . . . . 25.0 112.045 -177.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -95.95 -9.03 32.23 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 123.175 0.297 . . . . 25.0 111.648 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.87 -1.062 . . . . 25.0 110.752 178.792 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.457 -0.257 . . . . 25.0 112.457 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 28.1 t -123.11 133.03 24.27 Favored Pre-proline 0 CA--C 1.541 0.615 0 CA-C-O 119.482 -0.294 . . . . 25.0 110.79 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -71.68 143.54 42.18 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.475 2.116 . . . . 25.0 113.325 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -131.71 -21.18 1.03 Allowed Glycine 0 C--N 1.338 0.64 0 CA-C-N 115.857 -0.61 . . . . 25.0 113.177 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 61.08 100.37 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.31 0 C-N-CA 123.91 0.884 . . . . 25.0 111.848 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -64.06 -26.02 65.91 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.743 2.296 . . . . 25.0 113.777 178.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -98.79 -37.14 9.57 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.182 0.301 . . . . 25.0 111.518 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 107.56 171.86 22.07 Favored Glycine 0 C--N 1.342 0.886 0 O-C-N 123.362 0.414 . . . . 25.0 112.991 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 85.5 mt -133.21 -46.43 0.84 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.283 0.563 . . . . 25.0 110.344 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 68.7 mt -102.16 -10.36 19.69 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.412 -1.267 . . . . 25.0 110.406 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 88.7 p -125.24 41.28 3.55 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.397 -0.82 . . . . 25.0 110.556 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -97.78 -48.45 1.94 Allowed Glycine 0 C--N 1.341 0.842 0 CA-C-N 115.61 -0.723 . . . . 25.0 113.235 -177.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -126.58 -7.74 6.27 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.892 0.377 . . . . 25.0 111.233 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -97.27 -5.24 37.21 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.525 -0.761 . . . . 25.0 111.97 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -91.74 -9.65 42.93 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.881 -1.054 . . . . 25.0 111.491 -178.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . 0.619 ' CE2' ' HB2' ' B' ' 538' ' ' ALA . 22.8 t80 -66.75 -11.79 56.1 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.292 0.849 . . . . 25.0 113.292 -177.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 88.5 p -71.38 -32.49 68.53 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.466 -0.788 . . . . 25.0 111.789 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 85.1 p -90.27 -30.78 17.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.147 -0.479 . . . . 25.0 112.039 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 85.3 mt -86.76 -32.71 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 111.876 0.325 . . . . 25.0 111.876 -175.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . 0.619 ' HB2' ' CE2' ' B' ' 534' ' ' PHE . . . -81.42 -11.43 59.26 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.641 0.608 . . . . 25.0 112.641 -176.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -98.21 -14.58 20.26 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.505 -0.77 . . . . 25.0 110.02 175.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 94.5 mtp -91.48 -27.84 18.0 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.452 -0.795 . . . . 25.0 110.973 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -92.61 -19.84 21.49 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.613 -178.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -76.5 -26.79 55.66 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.464 0.173 . . . . 25.0 111.209 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.8 p -81.62 -23.52 36.97 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.472 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' B' ' 548' ' ' GLN . . . -84.24 -22.88 30.65 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.237 -0.438 . . . . 25.0 111.983 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.423 HD13 ' CD2' ' A' ' 612' ' ' PHE . 61.2 mt -81.31 -15.41 55.48 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.389 0.515 . . . . 25.0 112.389 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 98.3 mt -82.13 -42.0 19.71 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 120.889 0.376 . . . . 25.0 110.695 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 89.7 p -76.33 -15.77 59.9 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.297 -0.865 . . . . 25.0 111.309 175.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' B' ' 544' ' ' ALA . 46.8 tp60 -75.98 -24.69 55.37 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.266 0.626 . . . . 25.0 111.907 -177.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . 0.474 HD13 ' HG2' ' A' ' 615' ' ' PRO . 14.2 mt -102.35 -28.8 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 115.467 -0.788 . . . . 25.0 112.199 -179.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 94.7 p -92.66 -24.07 18.77 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.268 0.355 . . . . 25.0 111.847 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.486 1.333 0 C-N-CA 124.381 1.072 . . . . 25.0 112.701 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.464 -0.254 . . . . 25.0 112.464 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 73.0 t -90.48 140.55 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 110.186 -0.302 . . . . 25.0 110.186 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -92.54 124.79 36.83 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.976 -0.556 . . . . 25.0 109.902 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -123.14 126.63 47.39 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.415 -0.357 . . . . 25.0 111.367 -177.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -80.71 -24.31 58.56 Favored Glycine 0 C--N 1.341 0.83 0 CA-C-N 115.564 -0.743 . . . . 25.0 113.671 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -79.25 -27.37 42.37 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.182 0.438 . . . . 25.0 112.182 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -13.23 61.27 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.421 175.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -86.44 -31.63 21.29 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.542 0.571 . . . . 25.0 112.542 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -102.13 -21.25 14.45 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.126 0.787 . . . . 25.0 113.126 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.448 HG22 HD12 ' A' ' 599' ' ' LEU . 53.6 t -79.13 129.01 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-O 121.105 0.478 . . . . 25.0 110.721 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 80.3 p -111.48 -176.03 2.85 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 114.788 -1.096 . . . . 25.0 111.179 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -75.42 -17.09 60.27 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.08 167.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -78.0 -33.13 51.41 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 115.95 -0.568 . . . . 25.0 111.888 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.448 HD12 HG22 ' A' ' 595' ' ' VAL . 9.9 mt -62.9 -47.87 81.42 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 112.013 0.375 . . . . 25.0 112.013 174.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -60.19 -21.79 62.16 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.59 0.589 . . . . 25.0 112.59 -175.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.8 p -83.41 -30.58 27.22 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.13 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -82.21 -20.21 38.2 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.418 0.449 . . . . 25.0 110.434 176.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.612 ' O ' HD21 ' A' ' 653' ' ' LEU . 26.8 mt -76.4 -35.11 58.78 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.53 -0.759 . . . . 25.0 109.958 174.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 39.6 t -74.73 -35.56 37.47 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-N 115.216 -0.902 . . . . 25.0 110.755 172.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.558 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 76.1 t60 -73.35 -16.74 61.34 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.854 0.359 . . . . 25.0 110.817 176.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -84.83 -28.56 25.99 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.198 0.999 . . . . 25.0 108.756 176.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.683 ' HB2' HD11 ' A' ' 653' ' ' LEU . 14.4 tp -87.61 -41.21 13.58 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 112.962 -1.926 . . . . 25.0 111.788 -173.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 42.5 t -72.8 -24.99 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.274 0.63 . . . . 25.0 111.159 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 98.5 mm-40 -82.05 -27.83 32.78 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.654 0.264 . . . . 25.0 111.398 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -75.95 -29.75 58.4 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.882 -0.599 . . . . 25.0 111.538 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.559 HG12 HG21 ' A' ' 660' ' ' ILE . 97.5 mt -82.79 -56.5 5.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 N-CA-C 109.473 -0.566 . . . . 25.0 109.473 177.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -141.78 110.03 6.11 Favored Pre-proline 0 CA--C 1.549 0.919 0 O-C-N 123.339 0.399 . . . . 25.0 110.381 173.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -66.9 136.13 40.4 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 122.415 2.077 . . . . 25.0 112.324 173.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.19 114.35 61.29 Favored Pre-proline 0 C--O 1.236 0.381 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 -176.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -60.83 -52.46 3.63 Favored 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 123.362 2.708 . . . . 25.0 112.755 167.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -108.97 123.43 37.02 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 114.892 -1.049 . . . . 25.0 111.357 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -61.62 -10.2 15.9 Favored 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 123.095 2.53 . . . . 25.0 114.201 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.82 -8.14 57.62 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.616 0.599 . . . . 25.0 112.616 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -81.0 -8.02 59.68 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.726 0.41 . . . . 25.0 112.076 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 95.1 mt -83.55 2.92 34.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.101 -0.5 . . . . 25.0 112.195 -175.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -101.52 14.51 31.74 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.097 0.475 . . . . 25.0 110.45 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -88.92 150.02 23.05 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.701 -0.681 . . . . 25.0 110.707 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -79.81 -36.09 37.44 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.44 -0.8 . . . . 25.0 110.875 -175.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.438 ' HE ' ' CB ' ' B' ' 544' ' ' ALA . 73.8 mtp85 -69.64 -28.08 65.59 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.809 -1.087 . . . . 25.0 112.08 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 15.9 ttt -86.34 -35.3 19.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.229 -0.441 . . . . 25.0 111.358 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -55.8 -21.14 17.89 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -77.99 -28.42 49.3 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.49 0.316 . . . . 25.0 111.44 176.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.75 -32.34 21.91 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.064 -0.516 . . . . 25.0 110.271 175.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.61 HG12 ' HD2' ' A' ' 633' ' ' LYS . 74.5 t -60.93 -33.91 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 122.978 0.511 . . . . 25.0 110.092 170.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -83.96 -19.13 35.14 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.457 -0.792 . . . . 25.0 112.111 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -73.81 -40.94 62.99 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.407 -0.361 . . . . 25.0 110.14 171.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.516 ' HB1' ' CD2' ' A' ' 607' ' ' LEU . . . -80.12 -31.6 39.1 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.738 -176.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.61 ' HD2' HG12 ' A' ' 629' ' ' VAL . 41.6 mttt -68.61 -21.11 64.51 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.787 -0.642 . . . . 25.0 110.752 177.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -86.67 -39.45 16.05 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.132 -0.94 . . . . 25.0 112.472 -177.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.413 HG11 ' HD2' ' A' ' 656' ' ' LYS . 53.2 t -68.08 -52.02 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 113.821 1.045 . . . . 25.0 113.821 -166.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.403 ' HA ' ' HG3' ' A' ' 639' ' ' MET . 2.9 pp20? -57.94 -20.39 37.31 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 113.419 0.896 . . . . 25.0 113.419 -176.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.49 -23.48 77.99 Favored Glycine 0 C--N 1.345 1.066 0 C-N-CA 121.673 -0.299 . . . . 25.0 113.04 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -87.21 -19.53 28.24 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 122.993 0.517 . . . . 25.0 111.176 175.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.559 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 9.0 mtm -71.62 -28.77 64.02 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.834 177.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -77.24 -25.07 51.19 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.019 -0.537 . . . . 25.0 110.416 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -89.05 -26.14 21.58 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.15 0.98 . . . . 25.0 111.206 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 34.7 m -96.36 -46.17 6.51 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -177.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -85.37 153.2 22.69 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.852 0.316 . . . . 25.0 111.852 -178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -114.83 -12.31 12.12 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.88 -0.6 . . . . 25.0 112.064 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.2 p -131.9 158.85 40.29 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.537 0.335 . . . . 25.0 110.54 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 73.1 ttt-85 -72.61 -25.01 61.15 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.024 -0.535 . . . . 25.0 112.208 -174.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -81.0 -25.22 37.39 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.182 0.302 . . . . 25.0 111.416 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 651' ' ' HIS . 25.1 tp10 -86.08 -45.21 11.61 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.13 -0.486 . . . . 25.0 109.87 175.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . 0.47 ' HD2' ' CD1' ' A' ' 650' ' ' TYR . 76.4 t80 -54.8 -50.46 68.47 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.691 0.796 . . . . 25.0 111.746 178.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.47 ' CD1' ' HD2' ' A' ' 649' ' ' TYR . 9.4 m-85 -68.63 -15.07 63.41 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 112.346 0.498 . . . . 25.0 112.346 176.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . 0.413 ' HB3' ' O ' ' A' ' 648' ' ' GLU . 77.8 t60 -82.19 -40.21 22.06 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.142 0.423 . . . . 25.0 112.142 -177.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 87.1 mt -59.6 -27.22 66.1 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 178.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' A' ' 607' ' ' LEU . 57.9 tp -86.69 -31.46 21.02 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.406 0.282 . . . . 25.0 110.974 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.43 -25.0 60.32 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.351 174.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -73.44 -39.54 64.9 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.191 -0.459 . . . . 25.0 112.063 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.413 ' HD2' HG11 ' A' ' 635' ' ' VAL . 59.5 mttp -67.97 -27.37 66.54 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.603 -0.518 . . . . 25.0 109.603 173.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 17.6 mt -71.9 -30.37 36.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 115.298 -0.865 . . . . 25.0 110.555 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -84.54 -32.83 23.66 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.266 -0.425 . . . . 25.0 111.129 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -77.17 -31.54 55.55 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.202 -0.454 . . . . 25.0 112.145 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.559 HG21 HG12 ' A' ' 611' ' ' ILE . 95.0 mt -78.36 -23.84 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-O 121.113 0.483 . . . . 25.0 109.919 176.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -76.46 -19.7 57.77 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.617 -0.72 . . . . 25.0 111.961 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 665' ' ' GLU . 57.9 tttm -75.91 -39.59 56.0 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.811 0.444 . . . . 25.0 111.89 177.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.31 -47.28 64.93 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.414 0.686 . . . . 25.0 112.546 -176.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.53 -19.49 48.64 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 662' ' ' LYS . 64.3 mt-10 -66.52 -16.96 64.53 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.271 0.841 . . . . 25.0 113.271 -178.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -75.98 -20.78 57.6 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.538 0.209 . . . . 25.0 111.431 176.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 667' ' ' LYS . 1.9 mptt -84.87 -18.14 35.75 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.989 -0.55 . . . . 25.0 111.014 175.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -79.97 -31.27 39.87 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.012 -0.54 . . . . 25.0 111.497 -177.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 68.9 mtm-85 -91.44 -13.88 31.53 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 123.339 0.399 . . . . 25.0 111.289 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 93.4 p -85.49 -6.86 59.15 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.11 0.411 . . . . 25.0 112.11 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -83.94 -7.3 59.46 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 122.887 0.475 . . . . 25.0 112.111 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.017 -0.992 . . . . 25.0 111.126 -173.227 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 112.499 -0.24 . . . . 25.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . 0.54 ' HB3' ' HE2' ' B' ' 523' ' ' TYR . 35.5 t 62.3 121.85 0.02 OUTLIER Pre-proline 0 N--CA 1.485 1.298 0 C-N-CA 124.166 0.986 . . . . 25.0 112.09 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -74.17 -23.03 16.14 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.4 2.067 . . . . 25.0 113.76 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -141.22 138.14 8.61 Favored Glycine 0 C--N 1.338 0.656 0 O-C-N 123.48 0.488 . . . . 25.0 112.436 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . 0.54 ' HE2' ' HB3' ' B' ' 520' ' ' SER . 23.9 m-85 -111.06 110.36 56.67 Favored Pre-proline 0 CA--C 1.547 0.865 0 O-C-N 123.534 0.197 . . . . 25.0 111.33 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -62.92 154.83 64.08 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.692 2.261 . . . . 25.0 113.058 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -90.74 126.8 36.11 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.998 -0.546 . . . . 25.0 111.088 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 114.03 -26.43 9.91 Favored Glycine 0 C--N 1.339 0.731 0 CA-C-N 115.74 -0.664 . . . . 25.0 112.865 -178.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 78.0 mt -101.49 -164.58 1.11 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 122.599 0.36 . . . . 25.0 110.657 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' B' ' 523' ' ' TYR . 94.0 mt 59.18 8.01 0.99 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.537 1.135 . . . . 25.0 112.422 -177.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 92.3 p -137.61 2.22 2.42 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.311 -0.404 . . . . 25.0 111.268 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -90.22 -59.83 1.44 Allowed Glycine 0 C--N 1.344 0.981 0 CA-C-N 116.431 -0.349 . . . . 25.0 113.206 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -128.66 3.22 5.5 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.893 0.378 . . . . 25.0 111.127 -178.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -94.34 -4.13 49.14 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.632 -0.713 . . . . 25.0 112.138 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -87.5 -9.84 53.41 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.095 -0.957 . . . . 25.0 111.524 -178.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . 0.629 ' O ' ' HB3' ' B' ' 538' ' ' ALA . 56.7 m-85 -85.49 -12.82 50.87 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.408 0.623 . . . . 25.0 111.302 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 88.5 p -77.59 -39.03 46.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.981 -1.008 . . . . 25.0 110.965 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 39.9 t -91.26 -56.3 3.2 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.87 -0.605 . . . . 25.0 111.812 177.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 97.1 mt -74.26 -37.15 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 113.22 0.822 . . . . 25.0 113.22 -172.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' B' ' 534' ' ' PHE . . . -81.16 -10.91 59.56 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.081 0.467 . . . . 25.0 112.037 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . 0.402 ' CG ' ' HE2' ' A' ' 667' ' ' LYS . 95.9 m-20 -104.19 -6.6 20.83 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.032 -0.985 . . . . 25.0 109.512 172.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 54.6 ttm -96.97 -30.87 12.84 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.224 -0.898 . . . . 25.0 110.068 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . 0.406 ' O ' ' HG ' ' B' ' 545' ' ' LEU . 90.0 m-20 -89.5 -19.25 25.3 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.22 -0.9 . . . . 25.0 111.782 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -71.11 -26.78 63.18 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.5 0.191 . . . . 25.0 111.076 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 94.8 p -81.65 -25.69 35.4 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.141 -0.481 . . . . 25.0 111.274 176.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . 0.438 ' CB ' ' HE ' ' A' ' 624' ' ' ARG . . . -81.11 -27.65 35.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.329 177.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 541' ' ' ASP . 87.1 mt -84.96 -17.9 36.26 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.915 -0.584 . . . . 25.0 111.105 173.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 7.5 mt -78.92 -29.45 44.18 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.668 -0.696 . . . . 25.0 110.702 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.9 p -76.1 -15.72 60.04 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.59 -0.732 . . . . 25.0 111.9 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -73.42 -11.52 60.5 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 112.474 0.546 . . . . 25.0 112.474 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.5 mt -102.54 -32.04 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.02 -0.536 . . . . 25.0 110.644 -177.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 76.5 p -94.17 -38.79 10.89 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.542 -0.299 . . . . 25.0 111.632 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 94.8 p . . . . . 0 C--O 1.248 1.014 0 CA-C-O 117.983 -1.008 . . . . 25.0 110.64 179.845 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.601 -0.199 . . . . 25.0 112.601 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 71.9 t -90.46 144.27 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 109.994 -0.372 . . . . 25.0 109.994 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -92.46 123.4 35.74 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.834 -0.621 . . . . 25.0 111.762 -174.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -129.77 167.84 17.46 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.439 -0.8 . . . . 25.0 110.501 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -79.76 -18.13 73.62 Favored Glycine 0 C--N 1.345 1.051 0 N-CA-C 115.065 0.786 . . . . 25.0 115.065 -172.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 31.9 p-90 -68.98 -34.81 75.91 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 117.495 0.648 . . . . 25.0 112.579 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.87 -13.35 60.9 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.209 0.318 . . . . 25.0 111.408 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -82.55 -25.33 33.45 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -111.39 -25.02 9.85 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.938 0.718 . . . . 25.0 112.938 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 87.3 t -80.81 124.31 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 109.524 -0.547 . . . . 25.0 109.524 177.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 70.3 p -113.53 -174.76 2.53 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.303 -0.862 . . . . 25.0 111.59 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -71.04 -17.86 62.59 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.366 -0.834 . . . . 25.0 109.851 168.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -81.95 -38.47 25.15 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.735 -0.666 . . . . 25.0 112.069 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.87 -41.26 97.81 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.111 0.411 . . . . 25.0 112.111 175.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -63.9 -22.88 67.12 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 112.195 0.442 . . . . 25.0 112.195 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.8 p -84.34 -33.93 23.76 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.842 0.457 . . . . 25.0 111.969 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 55.9 m170 -77.36 -32.96 55.38 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.842 0.457 . . . . 25.0 111.237 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.409 HD12 ' OE2' ' A' ' 636' ' ' GLU . 61.1 mt -69.26 -25.05 64.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.376 0.671 . . . . 25.0 112.69 173.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 50.6 t -82.92 -27.22 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 123.773 0.829 . . . . 25.0 110.11 173.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.416 ' HA ' HG22 ' A' ' 608' ' ' VAL . 21.6 t-80 -81.41 -17.33 49.28 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.932 -0.576 . . . . 25.0 109.812 170.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -82.65 -19.94 37.24 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.51 -0.768 . . . . 25.0 109.434 174.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.721 HD23 ' HB1' ' A' ' 632' ' ' ALA . 0.1 OUTLIER -83.83 -47.75 10.78 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 114.267 -1.333 . . . . 25.0 110.752 -177.819 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 605' ' ' HIS . 34.7 m -66.34 -23.57 31.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.648 -0.706 . . . . 25.0 111.916 -176.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -80.84 -39.01 27.28 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 122.815 0.446 . . . . 25.0 110.943 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.42 63.45 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.52 -0.763 . . . . 25.0 111.91 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.54 HG12 HG21 ' A' ' 660' ' ' ILE . 96.6 mt -82.91 -44.23 18.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 N-CA-C 109.991 -0.374 . . . . 25.0 109.991 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.509 ' CD2' HD13 ' B' ' 545' ' ' LEU . 87.9 t80 -142.84 115.54 6.11 Favored Pre-proline 0 CA--C 1.547 0.858 0 O-C-N 123.207 0.317 . . . . 25.0 110.225 171.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.1 140.29 27.96 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 121.702 1.601 . . . . 25.0 112.347 174.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 37.7 p -112.1 114.79 50.94 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -63.0 -52.58 2.06 Favored 'Trans proline' 0 C--N 1.37 1.708 0 C-N-CA 123.326 2.684 . . . . 25.0 112.477 166.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -105.52 125.96 32.06 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 114.707 -1.133 . . . . 25.0 111.282 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -61.08 -10.56 15.45 Favored 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 123.134 2.556 . . . . 25.0 114.136 174.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.17 -8.35 56.84 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.72 -13.43 54.05 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.278 -0.419 . . . . 25.0 112.1 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 95.6 mt -82.27 -0.58 46.1 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.347 0.499 . . . . 25.0 112.347 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -106.1 14.76 27.3 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.959 0.409 . . . . 25.0 111.173 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . 0.449 ' OD2' ' HG3' ' B' ' 548' ' ' GLN . 47.4 t0 -87.26 158.61 19.05 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.857 -0.61 . . . . 25.0 111.085 -176.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 54.2 tpt85 -79.12 -39.07 34.55 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.559 -0.746 . . . . 25.0 110.709 -177.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -68.8 -19.66 64.3 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.747 -1.115 . . . . 25.0 111.738 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 57.8 tpp -81.11 -37.08 29.49 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.184 0.594 . . . . 25.0 110.535 177.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -61.51 -21.58 64.35 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.663 0.785 . . . . 25.0 112.405 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.44 -43.54 69.68 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.73 0.641 . . . . 25.0 112.73 -177.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 4.3 mt -86.43 -21.57 27.02 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 121.25 -0.18 . . . . 25.0 111.096 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.2 -33.01 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 166.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -76.89 -19.08 57.87 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 114.598 -1.183 . . . . 25.0 111.529 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.4 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 86.8 t80 -75.85 -40.88 53.89 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.263 -0.426 . . . . 25.0 110.142 168.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.721 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -79.77 -28.64 40.36 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.31 -0.405 . . . . 25.0 111.754 -175.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -64.61 -25.63 68.04 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.863 0.465 . . . . 25.0 111.562 177.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -85.79 -34.44 21.12 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.191 -0.913 . . . . 25.0 112.064 -176.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.591 ' O ' ' HG3' ' A' ' 639' ' ' MET . 53.0 t -77.15 -38.22 27.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 N-CA-C 112.632 0.605 . . . . 25.0 112.632 -170.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.409 ' OE2' HD12 ' A' ' 603' ' ' LEU . 38.2 tp10 -63.44 -37.23 86.47 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.184 0.439 . . . . 25.0 112.184 176.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -81.75 -19.56 65.46 Favored Glycine 0 C--N 1.345 1.035 0 O-C-N 123.477 0.486 . . . . 25.0 113.411 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -84.48 -18.68 35.06 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.593 0.357 . . . . 25.0 111.08 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.591 ' HG3' ' O ' ' A' ' 635' ' ' VAL . 38.1 mtm -73.36 -26.78 61.16 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 -178.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -26.11 61.42 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.321 -0.4 . . . . 25.0 111.628 -175.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -88.62 -26.14 22.06 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.161 -0.472 . . . . 25.0 111.761 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 66.4 p -94.1 -34.0 13.14 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.187 0.439 . . . . 25.0 112.187 -176.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -96.22 143.63 27.15 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.412 0.285 . . . . 25.0 111.524 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -105.5 -16.75 14.63 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.903 -0.59 . . . . 25.0 111.683 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 91.6 p -132.27 161.73 32.75 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.072 -0.513 . . . . 25.0 110.557 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.499 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 1.7 ptm180 -74.83 -18.61 60.42 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.011 -0.54 . . . . 25.0 111.901 -176.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 651' ' ' HIS . 95.5 m-20 -80.91 -26.88 36.46 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.171 0.294 . . . . 25.0 111.59 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -85.66 -44.89 12.2 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.364 0.415 . . . . 25.0 110.022 175.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . 0.465 ' O ' ' SD ' ' A' ' 639' ' ' MET . 80.7 t80 -52.14 -52.35 52.23 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.537 0.735 . . . . 25.0 111.489 176.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' A' ' 646' ' ' ARG . 23.1 m-85 -72.19 -16.32 61.96 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.001 0.741 . . . . 25.0 113.001 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 647' ' ' ASP . 0.1 OUTLIER -84.34 -36.32 22.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 122.376 0.27 . . . . 25.0 111.01 178.844 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.32 -39.24 89.78 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.951 0.9 . . . . 25.0 112.514 176.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.59 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 6.3 tp -77.83 -29.87 50.78 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.879 -0.6 . . . . 25.0 112.411 177.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -81.73 -25.8 35.09 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -75.32 -32.91 61.08 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -67.96 -29.81 68.95 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.472 -0.566 . . . . 25.0 109.472 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 5.1 mt -71.48 -37.78 65.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-N 115.554 -0.748 . . . . 25.0 110.891 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -82.93 -27.37 30.64 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.93 0.395 . . . . 25.0 110.428 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -77.39 -33.44 55.09 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.324 -0.853 . . . . 25.0 112.199 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.54 HG21 HG12 ' A' ' 611' ' ' ILE . 77.7 mt -77.7 -30.12 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 109.958 -0.386 . . . . 25.0 109.958 177.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -63.2 -19.64 64.7 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.804 -0.634 . . . . 25.0 112.157 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -75.28 -43.62 50.19 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.175 0.435 . . . . 25.0 112.175 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -65.65 -34.19 77.64 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.168 0.587 . . . . 25.0 112.385 -175.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.55 -23.3 67.33 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.84 -0.618 . . . . 25.0 112.216 174.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -86.05 -17.64 34.64 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 122.452 0.301 . . . . 25.0 111.809 175.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -75.84 -27.11 57.72 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.531 0.332 . . . . 25.0 111.385 176.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -86.52 -19.56 29.32 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.149 -0.478 . . . . 25.0 111.477 176.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -87.39 -30.08 21.01 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.577 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -86.9 -23.73 25.1 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.267 0.354 . . . . 25.0 111.737 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 79.1 p -98.47 -28.99 13.36 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.334 -0.394 . . . . 25.0 111.215 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 67.49 -1.14 1.66 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.574 1.149 . . . . 25.0 112.816 178.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 C--O 1.253 1.261 0 CA-C-O 118.687 -0.673 . . . . 25.0 110.749 178.357 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 112.466 -0.254 . . . . 25.0 112.466 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 56.2 m -110.29 128.68 24.96 Favored Pre-proline 0 CA--C 1.543 0.679 0 O-C-N 123.688 0.287 . . . . 25.0 110.699 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -72.69 -19.75 23.84 Favored 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 122.441 2.094 . . . . 25.0 113.939 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 134.08 106.72 0.94 Allowed Glycine 0 C--N 1.34 0.777 0 C-N-CA 121.456 -0.402 . . . . 25.0 112.654 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -111.23 96.24 29.71 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 110.242 -0.281 . . . . 25.0 110.242 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -82.59 137.16 8.91 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 122.272 1.981 . . . . 25.0 113.469 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 61.67 128.72 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.24 1.016 . . . . 25.0 112.667 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . 121.11 98.31 1.59 Allowed Glycine 0 C--N 1.338 0.661 0 CA-C-N 115.667 -0.697 . . . . 25.0 112.83 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 63.5 tp -101.76 -83.43 0.46 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.935 0.397 . . . . 25.0 110.056 177.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 91.8 mt -110.21 -35.75 6.01 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.175 -0.921 . . . . 25.0 108.927 172.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 78.1 p -134.95 -18.81 1.81 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-N 113.95 -1.477 . . . . 25.0 109.745 172.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 110.01 92.89 2.2 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-N 115.411 -0.813 . . . . 25.0 112.45 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 -135.6 33.12 3.0 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.447 0.641 . . . . 25.0 109.941 -178.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -108.17 -3.51 18.48 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.429 -0.805 . . . . 25.0 112.555 -177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -77.83 -23.91 48.83 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.345 -0.843 . . . . 25.0 112.519 -173.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -87.58 -12.14 46.57 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.72 0.295 . . . . 25.0 111.766 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 84.6 p -65.92 -23.46 66.63 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.745 -0.661 . . . . 25.0 112.078 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 79.0 p -87.03 -18.51 30.44 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.027 -0.533 . . . . 25.0 111.262 174.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 95.4 mt -87.06 -32.62 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.825 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.63 -11.27 59.17 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.771 0.656 . . . . 25.0 112.771 -177.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -97.6 -16.07 20.19 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.731 175.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 96.3 mmm -91.03 -26.64 19.09 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.312 -0.858 . . . . 25.0 110.743 173.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -89.13 -20.08 24.72 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.391 -0.822 . . . . 25.0 111.539 -178.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -75.53 -28.92 59.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.14 0.176 . . . . 25.0 111.379 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 76.3 p -81.74 -22.88 37.04 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.737 0.415 . . . . 25.0 111.855 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . 0.535 ' O ' ' HG2' ' B' ' 548' ' ' GLN . . . -84.18 -22.5 30.93 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.351 -0.386 . . . . 25.0 112.01 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.509 HD13 ' CD2' ' A' ' 612' ' ' PHE . 89.3 mt -83.54 -15.38 49.52 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.381 0.512 . . . . 25.0 112.381 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 84.4 mt -80.51 -32.66 36.85 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.874 0.369 . . . . 25.0 110.954 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.8 p -75.78 -16.41 60.11 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.417 -0.811 . . . . 25.0 111.984 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' B' ' 544' ' ' ALA . 89.4 mm-40 -81.71 -25.3 35.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.255 -0.43 . . . . 25.0 112.002 -178.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 43.9 pt -103.05 -20.26 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 115.37 -0.832 . . . . 25.0 112.216 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 91.6 p -94.21 -34.31 12.94 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.229 0.331 . . . . 25.0 111.411 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--O 1.249 1.036 0 CA-C-O 117.988 -1.006 . . . . 25.0 110.614 179.493 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.475 -0.25 . . . . 25.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 83.6 t -90.5 129.6 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 122.505 0.322 . . . . 25.0 110.166 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -91.51 127.63 37.03 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.71 -0.677 . . . . 25.0 110.915 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.403 ' HD2' ' HE1' ' A' ' 591' ' ' TRP . 95.1 mttt -110.08 -176.4 2.99 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.886 -0.597 . . . . 25.0 110.991 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -64.83 -37.77 94.73 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 113.972 0.349 . . . . 25.0 113.972 -177.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.429 ' O ' HG23 ' A' ' 595' ' ' VAL . 64.3 p-90 -68.11 -35.4 78.07 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.102 0.561 . . . . 25.0 112.482 -177.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -68.62 -33.94 74.9 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 122.803 0.441 . . . . 25.0 111.594 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -87.06 -12.35 47.54 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 122.854 0.462 . . . . 25.0 110.805 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -97.39 -26.85 14.72 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.525 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 591' ' ' TRP . 86.0 t -88.01 127.38 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.478 -0.564 . . . . 25.0 109.478 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 80.3 p -110.34 179.47 4.08 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.967 -177.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -69.29 -20.66 63.9 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.886 -1.052 . . . . 25.0 109.807 167.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -83.29 -32.76 26.19 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 116.005 -0.543 . . . . 25.0 111.943 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 1.4 mt -68.79 -44.37 73.74 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 111.818 0.303 . . . . 25.0 111.818 174.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -62.63 -22.98 66.83 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 93.9 p -84.42 -34.13 23.56 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 122.706 0.403 . . . . 25.0 111.719 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -77.6 -32.85 53.84 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.843 0.457 . . . . 25.0 111.124 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.476 HD11 ' HE2' ' A' ' 650' ' ' TYR . 61.0 mt -69.8 -25.86 63.99 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.803 0.668 . . . . 25.0 112.803 173.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 28.0 t -82.81 -23.94 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 123.468 0.707 . . . . 25.0 109.847 173.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -84.05 -17.73 39.36 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.845 -0.616 . . . . 25.0 109.704 169.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -82.06 -19.95 39.25 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.257 -0.883 . . . . 25.0 109.258 175.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.937 HD13 ' HB1' ' A' ' 632' ' ' ALA . 0.3 OUTLIER -85.91 -50.7 6.89 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 114.179 -1.373 . . . . 25.0 111.097 -176.383 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.28 -26.08 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-N 115.627 -0.715 . . . . 25.0 111.72 -176.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -82.21 -27.84 32.33 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.491 0.186 . . . . 25.0 111.349 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -80.32 -33.21 37.69 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.388 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.557 HG12 HG21 ' A' ' 660' ' ' ILE . 95.1 mt -78.15 -47.91 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 116.076 -0.511 . . . . 25.0 110.09 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.449 ' CD2' HD13 ' B' ' 545' ' ' LEU . 86.4 t80 -143.85 111.13 5.24 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 122.574 0.35 . . . . 25.0 110.108 172.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.81 137.9 60.78 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.364 2.043 . . . . 25.0 112.267 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 60.6 p -98.62 114.41 65.32 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 112.821 0.674 . . . . 25.0 112.821 -175.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -68.7 -50.53 0.61 Allowed 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 123.157 2.571 . . . . 25.0 112.069 166.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -105.26 129.95 23.91 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 114.81 -1.086 . . . . 25.0 111.759 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.04 -16.4 44.89 Favored 'Trans proline' 0 C--N 1.367 1.501 0 C-N-CA 123.552 2.835 . . . . 25.0 114.007 176.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -85.76 -12.78 50.16 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -68.39 -9.12 46.14 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.456 0.539 . . . . 25.0 112.456 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 51.9 mt -82.33 -5.71 58.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 122.805 0.442 . . . . 25.0 112.162 -176.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.61 14.58 31.58 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.145 0.498 . . . . 25.0 110.391 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -86.63 153.37 21.82 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.812 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -75.49 -47.9 25.0 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.272 -0.876 . . . . 25.0 111.647 -177.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -65.04 -21.1 66.78 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.01 0.524 . . . . 25.0 112.381 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 27.5 tpp -77.44 -41.67 38.85 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 122.821 0.449 . . . . 25.0 110.531 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.96 -19.68 65.95 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -65.86 -40.92 92.14 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 122.887 0.475 . . . . 25.0 111.763 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 631' ' ' TYR . 88.2 mt -86.53 -22.99 26.04 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 122.961 0.163 . . . . 25.0 110.858 177.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' A' ' 633' ' ' LYS . 6.0 t -54.79 -39.83 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 108.913 -0.773 . . . . 25.0 108.913 168.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -70.0 -19.19 63.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 114.548 -1.205 . . . . 25.0 111.682 176.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 628' ' ' LEU . 11.0 t80 -76.65 -39.21 52.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.23 -0.441 . . . . 25.0 110.002 168.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.937 ' HB1' HD13 ' A' ' 607' ' ' LEU . . . -78.35 -31.18 48.44 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.286 -0.416 . . . . 25.0 112.05 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 629' ' ' VAL . 93.7 mttt -66.02 -24.07 66.68 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.007 0.432 . . . . 25.0 110.923 177.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -85.39 -35.24 21.47 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.205 -0.907 . . . . 25.0 112.048 -175.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.537 ' O ' ' HG3' ' A' ' 639' ' ' MET . 35.2 m -75.11 -21.94 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 112.802 0.667 . . . . 25.0 112.802 -172.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -70.7 -31.1 67.86 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.325 0.25 . . . . 25.0 111.288 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . 0.628 ' HA2' ' HD1' ' A' ' 640' ' ' TYR . . . -84.44 -34.35 16.99 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 116.111 -0.495 . . . . 25.0 113.884 -175.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -72.69 -19.18 61.46 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.897 0.38 . . . . 25.0 111.345 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.799 ' HE1' HD22 ' A' ' 653' ' ' LEU . 15.4 mtm -75.26 -23.1 57.43 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.521 -0.763 . . . . 25.0 112.118 176.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.628 ' HD1' ' HA2' ' A' ' 637' ' ' GLY . 29.4 m-85 -74.96 -29.44 60.92 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.985 -0.552 . . . . 25.0 111.747 -176.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -88.47 -22.05 23.88 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.154 -0.475 . . . . 25.0 111.832 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 78.4 p -96.18 -38.18 10.25 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.331 -0.395 . . . . 25.0 112.01 -176.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -91.33 147.13 23.26 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.722 0.296 . . . . 25.0 111.681 -177.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -118.01 -15.93 9.89 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.742 -0.663 . . . . 25.0 111.097 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 88.5 p -131.82 -178.79 5.04 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.761 -0.2 . . . . 25.0 111.343 -176.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -79.45 -32.98 42.79 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.306 0.484 . . . . 25.0 112.306 -178.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -80.5 -22.12 41.27 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.108 0.411 . . . . 25.0 112.108 -174.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -86.58 -45.95 10.57 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.999 -0.371 . . . . 25.0 109.999 177.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -55.28 -52.94 61.81 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.358 0.663 . . . . 25.0 111.72 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.476 ' HE2' HD11 ' A' ' 603' ' ' LEU . 11.0 m-85 -71.27 -19.78 62.3 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.062 0.764 . . . . 25.0 113.062 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -84.88 -34.07 22.67 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.441 0.162 . . . . 25.0 111.272 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.67 -40.91 98.0 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.369 0.667 . . . . 25.0 112.288 174.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.799 HD22 ' HE1' ' A' ' 639' ' ' MET . 1.2 tp -73.64 -25.56 60.35 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.866 -0.606 . . . . 25.0 112.449 174.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -84.12 -27.16 28.37 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.107 0.41 . . . . 25.0 112.107 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -74.62 -31.79 62.1 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -68.02 -29.83 68.93 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.114 -0.699 . . . . 25.0 109.114 171.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 27.6 mt -69.84 -31.0 46.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 114.9 -1.045 . . . . 25.0 110.777 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -85.39 -33.52 21.96 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.472 -0.331 . . . . 25.0 111.165 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.25 -37.4 69.12 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.108 0.41 . . . . 25.0 112.108 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.557 HG21 HG12 ' A' ' 611' ' ' ILE . 81.8 mt -69.69 -30.56 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 123.439 0.462 . . . . 25.0 109.974 177.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -70.63 -19.93 62.77 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.405 -0.816 . . . . 25.0 111.999 173.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -80.46 -38.03 30.78 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.854 0.462 . . . . 25.0 111.822 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.83 -44.95 79.79 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.689 0.796 . . . . 25.0 111.802 -176.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 667' ' ' LYS . 76.0 mt -69.98 -19.51 63.35 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.989 -0.551 . . . . 25.0 112.212 177.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.43 -16.93 61.83 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 122.74 0.416 . . . . 25.0 111.061 177.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -68.77 -21.53 64.34 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.26 -0.427 . . . . 25.0 111.221 174.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 664' ' ' LEU . 4.8 mptt -82.84 -18.11 41.55 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.749 -0.66 . . . . 25.0 110.505 173.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -86.68 -25.14 24.97 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.565 -0.743 . . . . 25.0 111.288 -178.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.61 -6.78 54.2 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.275 0.472 . . . . 25.0 112.275 -176.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 83.8 p -83.16 -6.83 59.62 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.216 0.45 . . . . 25.0 112.216 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -96.99 -4.36 39.94 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.68 0.276 . . . . 25.0 111.395 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.772 -0.632 . . . . 25.0 110.736 179.719 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.448 -0.261 . . . . 25.0 112.448 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 28.2 t 62.59 123.37 0.02 OUTLIER Pre-proline 0 N--CA 1.485 1.317 0 C-N-CA 124.235 1.014 . . . . 25.0 112.023 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -73.46 144.16 35.82 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.346 2.031 . . . . 25.0 113.476 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 152.41 -171.36 31.63 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.864 -0.607 . . . . 25.0 112.748 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -115.14 97.93 49.22 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 122.321 0.248 . . . . 25.0 110.765 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -68.49 -40.75 7.35 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.66 2.24 . . . . 25.0 113.04 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -128.33 130.59 48.01 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 123.463 0.477 . . . . 25.0 109.996 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -129.73 103.37 0.58 Allowed Glycine 0 C--N 1.337 0.635 0 CA-C-N 115.988 -0.551 . . . . 25.0 112.6 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.02 32.83 5.57 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.084 0.469 . . . . 25.0 111.556 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 86.6 mt -80.22 4.22 18.28 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.999 -0.546 . . . . 25.0 111.569 -178.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 86.2 p -134.14 -46.77 0.78 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.319 -0.4 . . . . 25.0 111.18 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . 91.28 3.88 69.11 Favored Glycine 0 C--N 1.343 0.936 0 CA-C-N 116.117 -0.492 . . . . 25.0 113.93 176.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -121.68 -6.6 9.14 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.812 0.339 . . . . 25.0 111.883 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -115.34 -4.46 12.37 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.669 -0.696 . . . . 25.0 112.548 -176.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.16 -50.16 5.99 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.802 -0.635 . . . . 25.0 111.625 -175.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -88.41 -11.8 45.03 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.627 0.251 . . . . 25.0 111.293 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 77.1 p -67.61 -23.7 65.4 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.299 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 83.8 p -78.18 -28.76 48.25 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.748 -0.66 . . . . 25.0 110.69 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 95.4 mt -87.19 -32.32 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 115.29 -0.868 . . . . 25.0 111.272 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.77 -11.91 58.8 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.24 0.83 . . . . 25.0 113.24 -174.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -100.99 -11.16 19.91 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.576 -0.738 . . . . 25.0 109.726 175.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 93.3 mmm -93.29 -27.89 16.54 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.254 -0.885 . . . . 25.0 110.761 172.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -90.77 -19.67 23.24 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.624 -0.716 . . . . 25.0 111.68 -177.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -72.49 -29.27 63.49 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.541 0.21 . . . . 25.0 110.882 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.8 p -81.91 -23.31 36.31 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.945 -0.571 . . . . 25.0 111.209 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -80.13 -31.2 39.1 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.243 -0.435 . . . . 25.0 111.564 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.449 HD13 ' CD2' ' A' ' 612' ' ' PHE . 96.7 mt -82.41 -18.09 43.15 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.008 -0.542 . . . . 25.0 111.276 175.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 16.5 mt -87.1 -28.64 22.39 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.604 -0.726 . . . . 25.0 110.924 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 99.5 p -76.37 -20.84 56.78 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.95 -0.568 . . . . 25.0 112.262 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -91.27 -13.83 31.99 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.767 0.655 . . . . 25.0 112.767 -176.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 38.5 mt -104.89 -29.93 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 96.8 p -105.13 -41.52 5.54 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.216 0.323 . . . . 25.0 111.484 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 44.8 m . . . . . 0 N--CA 1.483 1.218 0 C-N-CA 123.943 0.897 . . . . 25.0 112.179 -179.338 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 112.574 -0.21 . . . . 25.0 112.574 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 90.2 t -90.29 137.61 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 110.058 -0.349 . . . . 25.0 110.058 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -91.2 136.53 33.03 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.781 -0.645 . . . . 25.0 111.237 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -113.56 -174.52 2.48 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.738 -0.664 . . . . 25.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -62.63 -35.6 92.08 Favored Glycine 0 C--N 1.347 1.151 0 N-CA-C 114.176 0.43 . . . . 25.0 114.176 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 60.2 p-90 -70.19 -33.3 71.55 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.002 0.521 . . . . 25.0 112.361 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -62.99 -36.68 84.35 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.305 0.642 . . . . 25.0 112.207 -177.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -91.05 -4.97 55.91 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 122.824 0.45 . . . . 25.0 110.937 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -104.97 -26.14 12.29 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.934 -0.576 . . . . 25.0 111.728 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.448 HG13 HD23 ' A' ' 599' ' ' LEU . 39.6 t -78.43 129.66 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 120.925 0.393 . . . . 25.0 110.317 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 66.6 p -111.27 -175.88 2.81 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.336 -0.847 . . . . 25.0 111.565 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -77.66 -17.36 57.79 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.758 168.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -77.69 -30.68 52.01 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 115.77 -0.65 . . . . 25.0 111.635 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.448 HD23 HG13 ' A' ' 595' ' ' VAL . 55.7 tp -63.95 -44.92 91.36 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 112.248 0.462 . . . . 25.0 112.248 174.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.404 ' O ' ' OE1' ' A' ' 636' ' ' GLU . 99.8 mtt180 -64.74 -25.73 68.06 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 111.951 0.352 . . . . 25.0 111.951 -177.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 69.9 p -84.63 -31.11 24.4 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.141 -0.481 . . . . 25.0 111.507 177.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -80.61 -19.98 44.25 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.92 0.488 . . . . 25.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.624 ' HA ' ' HB2' ' A' ' 606' ' ' LYS . 52.3 mt -83.32 -36.54 24.34 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.916 -0.583 . . . . 25.0 110.908 177.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.544 HG23 ' OE1' ' A' ' 636' ' ' GLU . 2.8 t -68.2 -30.78 49.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 124.109 0.964 . . . . 25.0 110.35 169.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -80.06 -17.34 52.98 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.849 -0.614 . . . . 25.0 110.053 173.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.624 ' HB2' ' HA ' ' A' ' 603' ' ' LEU . 20.2 mttt -82.78 -21.8 34.48 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.376 -0.829 . . . . 25.0 109.346 173.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 1.068 HD13 ' HB1' ' A' ' 632' ' ' ALA . 0.3 OUTLIER -86.35 -54.46 4.42 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.417 -1.265 . . . . 25.0 111.645 -176.124 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.33 -30.34 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.147 0.579 . . . . 25.0 111.913 -174.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -79.13 -34.11 43.66 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.979 0.419 . . . . 25.0 110.684 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -73.24 -36.13 66.37 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.037 -0.983 . . . . 25.0 111.802 177.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.425 HG12 HD13 ' A' ' 660' ' ' ILE . 84.4 mt -78.29 -52.38 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.032 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.721 ' CD2' HD13 ' B' ' 545' ' ' LEU . 89.9 t80 -138.6 105.82 7.65 Favored Pre-proline 0 CA--C 1.548 0.901 0 O-C-N 123.121 0.263 . . . . 25.0 110.329 172.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -68.12 135.31 34.24 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.336 2.024 . . . . 25.0 112.16 173.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 60.7 p -102.03 113.55 65.82 Favored Pre-proline 0 CA--C 1.536 0.42 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -63.94 -49.79 3.64 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 123.254 2.636 . . . . 25.0 112.361 168.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.405 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 46.2 t0 -106.85 121.7 44.07 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 114.907 -1.042 . . . . 25.0 111.073 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 55.5 Cg_endo -61.47 -10.4 16.09 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 123.068 2.512 . . . . 25.0 114.318 176.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -78.25 -8.25 58.13 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.507 0.558 . . . . 25.0 112.507 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -85.15 -9.08 58.27 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.263 0.468 . . . . 25.0 112.263 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 59.3 mt -82.2 1.7 35.19 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -175.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.42 14.43 30.12 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 121.076 0.465 . . . . 25.0 110.532 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -90.48 154.47 19.62 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.781 -0.645 . . . . 25.0 110.72 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -79.55 -33.94 41.43 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.8 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.455 ' HD3' ' HB1' ' B' ' 544' ' ' ALA . 91.4 mtt-85 -70.67 -20.05 62.73 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 114.672 -1.149 . . . . 25.0 111.68 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 53.2 tpp -82.38 -37.95 24.87 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 122.92 0.488 . . . . 25.0 110.382 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.2 -21.17 66.04 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.578 0.751 . . . . 25.0 111.983 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -69.17 -43.08 74.97 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 112.458 0.54 . . . . 25.0 112.458 -176.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.547 HD23 ' CD2' ' A' ' 631' ' ' TYR . 0.5 OUTLIER -86.36 -21.95 26.93 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.476 0.179 . . . . 25.0 111.184 179.597 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 16.6 t -55.86 -32.32 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 N-CA-C 109.349 -0.612 . . . . 25.0 109.349 167.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -81.36 -19.01 43.62 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.573 -1.194 . . . . 25.0 111.467 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.547 ' CD2' HD23 ' A' ' 628' ' ' LEU . 20.3 m-30 -77.56 -38.38 48.66 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.024 -0.534 . . . . 25.0 110.502 171.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 1.068 ' HB1' HD13 ' A' ' 607' ' ' LEU . . . -80.12 -40.68 26.96 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.024 -0.535 . . . . 25.0 111.476 -176.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -53.16 -25.35 13.27 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -173.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.439 ' HE3' ' OD1' ' A' ' 638' ' ' ASP . 55.1 tptt -85.56 -35.57 20.99 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.955 0.502 . . . . 25.0 111.91 -177.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.644 ' O ' ' HG3' ' A' ' 639' ' ' MET . 9.7 m -71.21 -21.65 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 N-CA-C 113.455 0.909 . . . . 25.0 113.455 -163.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.544 ' OE1' HG23 ' A' ' 604' ' ' VAL . 4.1 pt-20 -68.76 -41.52 78.76 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 122.637 0.375 . . . . 25.0 111.378 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -78.72 -21.72 68.26 Favored Glycine 0 C--N 1.347 1.174 0 CA-C-N 115.928 -0.578 . . . . 25.0 113.773 -176.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . 0.439 ' OD1' ' HE3' ' A' ' 634' ' ' LYS . 94.8 m-20 -78.6 -18.94 53.79 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 122.439 0.295 . . . . 25.0 111.302 176.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.644 ' HG3' ' O ' ' A' ' 635' ' ' VAL . 27.8 mtm -76.69 -20.74 56.28 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.243 -0.435 . . . . 25.0 111.501 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.566 ' CD2' ' C ' ' A' ' 640' ' ' TYR . 0.5 OUTLIER -73.43 -31.3 63.76 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.749 -0.66 . . . . 25.0 111.585 -176.762 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -88.52 -21.49 24.11 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.102 -0.499 . . . . 25.0 111.999 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 67.2 p -96.02 -36.19 11.12 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.257 0.466 . . . . 25.0 112.257 -176.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.6 142.36 27.9 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -178.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -107.52 -20.68 13.17 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.672 -0.695 . . . . 25.0 110.752 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 86.2 p -131.68 156.12 46.44 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.007 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -74.26 -18.61 60.7 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.069 -0.514 . . . . 25.0 112.175 -173.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -81.21 -23.09 38.36 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.212 0.32 . . . . 25.0 110.645 175.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -86.55 -43.09 12.98 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.096 -0.502 . . . . 25.0 109.817 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -50.34 -57.77 7.18 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.985 0.914 . . . . 25.0 111.599 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.423 ' HE2' HD11 ' A' ' 599' ' ' LEU . 24.3 m-85 -63.33 -15.18 56.54 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.06 0.763 . . . . 25.0 113.06 177.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -22.94 33.46 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.411 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 86.8 mt -70.93 -45.42 64.24 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 177.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 603' ' ' LEU . 0.3 OUTLIER -68.42 -30.03 68.83 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 112.023 0.379 . . . . 25.0 112.023 177.478 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -78.68 -29.74 45.77 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.461 0.541 . . . . 25.0 112.461 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -76.96 -30.25 55.92 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.241 0.46 . . . . 25.0 112.241 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -71.57 -27.46 63.17 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.032 -0.729 . . . . 25.0 109.032 171.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 12.1 mt -72.22 -29.81 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 114.864 -1.062 . . . . 25.0 110.904 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -80.84 -36.78 31.04 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 123.074 0.234 . . . . 25.0 110.685 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -69.93 -34.72 73.84 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.891 0.476 . . . . 25.0 112.139 -178.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.425 HD13 HG12 ' A' ' 611' ' ' ILE . 69.4 mt -78.16 -35.32 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-N 116.132 -0.486 . . . . 25.0 110.159 178.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -69.96 -22.84 63.13 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.997 -0.547 . . . . 25.0 112.237 175.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -71.55 -28.81 64.11 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.9 -43.77 24.15 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 123.248 0.619 . . . . 25.0 111.166 -178.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 667' ' ' LYS . 87.3 mt -68.86 -19.65 64.25 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.789 0.663 . . . . 25.0 112.789 178.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -75.89 -17.43 59.79 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.429 0.292 . . . . 25.0 111.665 176.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.71 -20.89 60.4 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.26 -0.427 . . . . 25.0 111.061 174.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 664' ' ' LEU . 4.2 mptt -85.22 -18.06 35.17 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.879 -0.601 . . . . 25.0 110.665 174.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -86.93 -16.56 35.54 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.711 -0.677 . . . . 25.0 111.699 -177.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -87.84 -11.19 48.58 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.146 0.279 . . . . 25.0 111.38 -178.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 83.8 p -82.56 -10.37 59.01 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.137 0.421 . . . . 25.0 112.137 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -94.32 -4.55 48.45 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.465 -0.334 . . . . 25.0 111.365 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 C--O 1.25 1.116 0 CA-C-O 117.953 -1.022 . . . . 25.0 110.869 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.471 -0.252 . . . . 25.0 112.471 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 31.4 t -108.4 134.28 20.28 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-O 119.514 -0.279 . . . . 25.0 110.794 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -71.58 136.16 27.73 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.463 2.109 . . . . 25.0 113.55 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . 145.53 127.77 1.95 Allowed Glycine 0 C--N 1.338 0.676 0 CA-C-N 115.905 -0.589 . . . . 25.0 112.815 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 62.1 t80 58.96 100.01 0.04 OUTLIER Pre-proline 0 N--CA 1.484 1.249 0 C-N-CA 124.146 0.978 . . . . 25.0 111.881 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.31 145.85 73.38 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.65 2.233 . . . . 25.0 113.074 177.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -124.97 126.58 45.7 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.866 -0.606 . . . . 25.0 110.167 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -179.41 123.12 0.83 Allowed Glycine 0 C--N 1.338 0.668 0 CA-C-N 116.045 -0.525 . . . . 25.0 112.735 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 85.1 mt -118.91 -47.17 2.51 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.363 0.602 . . . . 25.0 110.116 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 97.9 mt -90.91 -21.17 21.52 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.379 -1.282 . . . . 25.0 109.761 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 57.8 m -132.27 79.82 1.88 Allowed 'General case' 0 C--O 1.239 0.535 0 CA-C-N 114.871 -1.059 . . . . 25.0 110.056 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -132.17 -44.29 0.15 Allowed Glycine 0 C--N 1.338 0.641 0 CA-C-N 115.487 -0.778 . . . . 25.0 112.952 -177.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -123.57 -10.08 7.91 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.006 0.431 . . . . 25.0 111.063 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -97.72 -5.24 35.53 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.399 -0.819 . . . . 25.0 111.802 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.42 -10.18 41.95 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.843 -1.071 . . . . 25.0 111.214 -178.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -80.65 -10.26 59.74 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.188 0.518 . . . . 25.0 112.216 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 87.2 p -62.41 -25.47 67.97 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.87 -1.059 . . . . 25.0 111.538 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 85.0 p -90.26 -30.18 17.69 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.744 -0.662 . . . . 25.0 112.311 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 66.5 mt -86.85 -33.68 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 123.204 0.315 . . . . 25.0 111.602 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . . . . . . . . . . . -81.2 -11.46 59.41 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.604 0.594 . . . . 25.0 112.604 -176.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -102.24 -6.03 23.63 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.341 -0.845 . . . . 25.0 109.647 173.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 56.0 ttm -95.92 -36.17 11.18 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.134 -0.939 . . . . 25.0 109.608 175.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -84.01 -24.06 30.69 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.52 -0.764 . . . . 25.0 112.626 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -68.03 -26.49 65.9 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 120.64 0.257 . . . . 25.0 111.093 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 89.7 p -82.13 -24.75 34.92 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.835 -0.621 . . . . 25.0 111.324 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . 0.455 ' HB1' ' HD3' ' A' ' 624' ' ' ARG . . . -84.32 -22.77 30.52 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.243 -0.435 . . . . 25.0 112.07 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.721 HD13 ' CD2' ' A' ' 612' ' ' PHE . 94.0 mt -77.5 -25.94 50.78 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.242 0.46 . . . . 25.0 112.242 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.52 -29.05 21.62 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.403 -0.362 . . . . 25.0 111.185 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 84.6 p -75.39 -17.01 60.31 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.514 -0.766 . . . . 25.0 112.796 -178.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -88.82 -11.2 45.5 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 96.0 mt -102.75 -31.75 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 116.021 -0.536 . . . . 25.0 110.459 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 67.1 p -95.36 -37.25 11.04 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.29 0.369 . . . . 25.0 111.493 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.737 -0.649 . . . . 25.0 110.887 -179.828 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.451 -0.26 . . . . 25.0 112.451 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 63.6 t -90.21 136.21 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 110.061 -0.348 . . . . 25.0 110.061 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -91.29 131.6 36.69 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.78 -0.646 . . . . 25.0 111.226 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -112.37 165.05 12.55 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.677 -0.692 . . . . 25.0 110.427 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -70.31 -18.05 74.77 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 115.15 0.82 . . . . 25.0 115.15 -171.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -68.04 -38.04 82.06 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.578 0.584 . . . . 25.0 112.578 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -72.85 -13.05 61.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 122.325 0.25 . . . . 25.0 111.397 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -82.63 -22.28 34.76 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.99 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -115.76 -22.12 9.29 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.04 0.755 . . . . 25.0 113.04 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.514 HG13 HD23 ' A' ' 599' ' ' LEU . 77.3 t -81.81 126.36 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 120.961 0.41 . . . . 25.0 110.4 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 48.1 p -112.31 -174.31 2.43 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.128 -0.942 . . . . 25.0 111.351 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -72.54 -18.62 61.62 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.59 -0.732 . . . . 25.0 109.865 169.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -82.0 -33.45 30.11 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 115.756 -0.656 . . . . 25.0 111.484 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.514 HD23 HG13 ' A' ' 595' ' ' VAL . 32.5 tp -64.36 -48.14 76.65 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 117.673 0.215 . . . . 25.0 111.189 173.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.492 ' HG2' ' OE2' ' A' ' 636' ' ' GLU . 81.6 mtp180 -55.0 -28.3 50.98 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.02 0.528 . . . . 25.0 111.978 -176.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 91.8 p -82.17 -31.56 30.4 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.462 -0.79 . . . . 25.0 111.566 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -81.09 -27.13 35.75 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.69 0.396 . . . . 25.0 110.673 177.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 21.9 mt -67.01 -31.89 72.73 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.837 0.855 . . . . 25.0 110.569 172.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 28.0 t -83.48 -32.34 9.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 114.945 -1.025 . . . . 25.0 110.917 176.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.465 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 80.4 t60 -76.28 -16.8 59.71 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.231 0.332 . . . . 25.0 110.694 176.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -85.11 -26.2 27.05 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 122.135 0.969 . . . . 25.0 108.656 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.632 HD23 ' HB1' ' A' ' 632' ' ' ALA . 47.3 tp -87.18 -40.56 14.48 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 113.066 -1.879 . . . . 25.0 111.509 -176.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 77.7 t -76.66 -23.94 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.178 0.591 . . . . 25.0 111.322 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 97.0 mm-40 -80.27 -27.52 38.58 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.761 0.315 . . . . 25.0 110.939 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -74.67 -30.78 61.71 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.591 -0.731 . . . . 25.0 111.371 175.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.561 HG12 HG21 ' A' ' 660' ' ' ILE . 75.9 mt -83.19 -53.95 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-N 116.09 -0.505 . . . . 25.0 109.691 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.402 ' HE2' ' HB ' ' A' ' 614' ' ' THR . 25.0 t80 -139.54 104.37 7.05 Favored Pre-proline 0 CA--C 1.548 0.878 0 O-C-N 123.086 0.241 . . . . 25.0 110.568 171.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.53 131.5 9.46 Favored 'Trans proline' 0 C--N 1.373 1.868 0 C-N-CA 122.479 2.12 . . . . 25.0 112.825 175.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.402 ' HB ' ' HE2' ' A' ' 612' ' ' PHE . 7.9 t -151.04 126.87 4.97 Favored Pre-proline 0 CA--C 1.545 0.773 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -53.18 -50.13 15.09 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 123.798 2.999 . . . . 25.0 113.981 170.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 617' ' ' PRO . 49.4 t0 -71.14 116.07 42.99 Favored Pre-proline 0 N--CA 1.473 0.694 0 CA-C-N 115.453 -0.794 . . . . 25.0 112.288 -177.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 616' ' ' ASP . 58.4 Cg_endo -67.25 -10.54 29.0 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.719 2.28 . . . . 25.0 113.791 173.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -74.31 -10.14 59.29 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.753 0.649 . . . . 25.0 112.753 -176.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -83.18 -14.98 52.32 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 122.517 0.327 . . . . 25.0 111.68 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 72.4 mt -87.31 -0.27 56.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.875 -0.602 . . . . 25.0 112.012 -177.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -106.18 14.32 27.77 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.104 0.478 . . . . 25.0 110.595 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -87.66 159.82 18.37 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.805 -0.634 . . . . 25.0 110.898 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -73.26 -50.82 20.2 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.824 -0.625 . . . . 25.0 111.323 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -57.92 -30.63 66.08 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.453 0.701 . . . . 25.0 112.591 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.651 ' N ' HD21 ' B' ' 545' ' ' LEU . 50.5 tpp -81.46 -36.25 29.59 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.065 -0.516 . . . . 25.0 111.597 -177.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.78 -21.38 63.01 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -76.72 -25.2 53.28 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 120.718 0.294 . . . . 25.0 111.361 175.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 631' ' ' TYR . 79.5 mt -86.04 -42.15 14.21 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.834 -0.621 . . . . 25.0 109.877 175.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.64 -34.28 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 123.311 0.644 . . . . 25.0 110.654 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -79.07 -18.78 52.82 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.505 -0.77 . . . . 25.0 111.485 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 628' ' ' LEU . 17.3 m-30 -76.04 -37.2 58.61 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.931 -0.577 . . . . 25.0 110.742 172.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.632 ' HB1' HD23 ' A' ' 607' ' ' LEU . . . -83.55 -36.35 24.07 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.232 -0.44 . . . . 25.0 111.593 -178.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -67.51 -20.01 65.39 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.207 0.603 . . . . 25.0 111.228 177.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -85.85 -36.28 20.1 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.367 -0.833 . . . . 25.0 111.74 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.46 HG11 ' HD2' ' A' ' 656' ' ' LYS . 18.5 t -73.05 -45.05 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 112.681 0.622 . . . . 25.0 112.681 -172.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.492 ' OE2' ' HG2' ' A' ' 600' ' ' ARG . 13.8 tm-20 -57.08 -29.57 63.59 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.423 0.689 . . . . 25.0 111.953 -177.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -71.89 -25.05 75.71 Favored Glycine 0 C--N 1.347 1.19 0 O-C-N 123.205 0.316 . . . . 25.0 113.472 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -84.85 -19.08 32.95 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.717 0.407 . . . . 25.0 111.099 176.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.644 ' SD ' ' HB2' ' A' ' 653' ' ' LEU . 3.9 mtm -71.57 -35.87 70.73 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.145 -0.48 . . . . 25.0 112.104 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.422 ' CE2' ' HG3' ' A' ' 641' ' ' GLU . 0.0 OUTLIER -75.69 -24.56 56.27 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.126 -0.488 . . . . 25.0 110.735 178.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.422 ' HG3' ' CE2' ' A' ' 640' ' ' TYR . 75.0 mt-10 -88.64 -26.48 21.86 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.948 0.899 . . . . 25.0 111.086 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 85.7 p -96.45 -41.38 8.62 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.091 0.404 . . . . 25.0 112.091 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -87.41 140.83 29.13 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.678 0.275 . . . . 25.0 111.722 -176.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -109.77 -6.38 15.29 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.767 -0.651 . . . . 25.0 111.017 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 74.9 m -131.56 157.61 43.16 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.863 0.363 . . . . 25.0 110.585 -175.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -72.06 -29.81 64.5 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.542 -0.754 . . . . 25.0 111.909 -176.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.53 -23.52 37.2 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.236 0.335 . . . . 25.0 111.301 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -86.35 -39.89 15.99 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 122.594 0.358 . . . . 25.0 110.184 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -57.01 -51.03 70.88 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.236 0.614 . . . . 25.0 111.339 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -75.52 -16.02 60.33 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.386 0.884 . . . . 25.0 113.386 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -81.64 -46.81 13.84 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.074 0.15 . . . . 25.0 111.385 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 78.9 mt -51.73 -39.56 58.67 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.67 0.788 . . . . 25.0 112.901 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.644 ' HB2' ' SD ' ' A' ' 639' ' ' MET . 0.6 OUTLIER -72.59 -38.66 67.8 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.948 -0.569 . . . . 25.0 111.773 176.113 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.72 -24.96 64.53 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.333 -0.394 . . . . 25.0 111.23 175.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -74.38 -40.88 61.8 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.679 -0.691 . . . . 25.0 111.578 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.46 ' HD2' HG11 ' A' ' 635' ' ' VAL . 24.2 mttp -68.46 -24.95 64.76 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.777 -0.453 . . . . 25.0 109.777 174.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 5.2 mt -70.57 -31.99 48.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.477 -0.783 . . . . 25.0 110.224 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -85.34 -33.28 22.08 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.988 -0.551 . . . . 25.0 111.256 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -74.57 -33.06 62.59 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 -176.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.561 HG21 HG12 ' A' ' 611' ' ' ILE . 97.3 mt -76.04 -28.66 18.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.012 0.435 . . . . 25.0 109.841 176.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -69.38 -19.92 63.83 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.533 -0.758 . . . . 25.0 112.114 172.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -75.65 -40.23 56.48 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.648 0.379 . . . . 25.0 111.918 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -71.24 -43.05 68.04 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.915 0.486 . . . . 25.0 112.168 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.25 -19.24 64.38 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 112.488 0.551 . . . . 25.0 112.488 171.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -86.26 -23.93 26.17 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.445 0.298 . . . . 25.0 110.655 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -67.35 -25.76 66.15 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.866 0.466 . . . . 25.0 111.934 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -83.45 -17.85 40.65 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.175 -0.466 . . . . 25.0 111.211 175.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -86.01 -18.7 31.83 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.65 -0.704 . . . . 25.0 111.639 -176.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 52.4 mtm-85 -86.67 -16.64 35.95 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 123.243 0.339 . . . . 25.0 111.199 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 89.0 p -85.8 -5.5 59.24 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 112.103 0.409 . . . . 25.0 112.103 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -95.36 -7.24 39.12 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.352 -0.385 . . . . 25.0 111.442 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 72.8 mt . . . . . 0 C--O 1.253 1.289 0 CA-C-O 118.701 -0.666 . . . . 25.0 110.807 179.316 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 519' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.523 -0.231 . . . . 25.0 112.523 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 520' ' ' SER . . . . . . . . . . . . . 70.6 m -109.02 129.73 23.55 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-O 119.478 -0.296 . . . . 25.0 111.059 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 521' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -73.06 143.01 35.37 Favored 'Trans proline' 0 C--N 1.374 1.902 0 C-N-CA 122.37 2.047 . . . . 25.0 113.452 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 522' ' ' GLY . . . . . . . . . . . . . . . -143.35 -103.37 0.45 Allowed Glycine 0 C--N 1.337 0.62 0 CA-C-N 115.877 -0.601 . . . . 25.0 112.522 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 523' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -106.1 132.77 20.62 Favored Pre-proline 0 CA--C 1.544 0.744 0 O-C-N 123.684 0.285 . . . . 25.0 111.304 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 524' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.4 136.68 22.09 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.295 1.997 . . . . 25.0 113.366 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 525' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -116.53 -39.94 3.27 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.888 -0.596 . . . . 25.0 110.576 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 526' ' ' GLY . . . . . . . . . . . . . . . -122.13 107.14 1.13 Allowed Glycine 0 C--N 1.339 0.748 0 O-C-N 123.457 0.473 . . . . 25.0 112.297 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 527' ' ' LEU . . . . . . . . . . . . . 95.7 mt -111.83 24.55 12.56 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 120.717 0.294 . . . . 25.0 111.446 -178.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.71 -7.39 15.29 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 121.15 0.5 . . . . 25.0 111.186 -177.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 529' ' ' SER . . . . . . . . . . . . . 18.4 t -147.89 74.69 1.32 Allowed 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.416 -0.811 . . . . 25.0 109.692 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 530' ' ' GLY . . . . . . . . . . . . . . . -102.03 37.13 3.81 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 115.467 -0.788 . . . . 25.0 113.361 -176.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 531' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -130.91 -18.29 3.03 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.95 0.405 . . . . 25.0 111.102 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -103.3 -5.11 23.36 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.345 -0.843 . . . . 25.0 111.734 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 533' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -91.32 -9.87 43.41 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.893 -1.049 . . . . 25.0 111.437 -177.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 534' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -88.39 -12.03 44.41 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.354 0.262 . . . . 25.0 111.278 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 535' ' ' SER . . . . . . . . . . . . . 99.4 p -69.81 -22.56 63.29 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.391 -0.368 . . . . 25.0 111.529 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 87.6 p -89.53 -22.74 22.26 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.103 -0.499 . . . . 25.0 111.746 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 537' ' ' ILE . . . . . . . . . . . . . 48.8 mm -86.65 -32.55 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 123.232 0.333 . . . . 25.0 111.251 -179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 538' ' ' ALA . . . . . 0.561 ' O ' ' HB2' ' B' ' 542' ' ' PHE . . . -81.28 -11.21 59.42 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 -171.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 539' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -106.42 -3.44 21.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.935 -0.575 . . . . 25.0 109.95 174.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 540' ' ' MET . . . . . . . . . . . . . 82.8 mtp -102.78 -29.43 11.48 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.189 -0.914 . . . . 25.0 110.682 173.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 541' ' ' ASP . . . . . 0.468 ' HB3' HD12 ' B' ' 545' ' ' LEU . 0.6 OUTLIER -95.55 -19.77 19.53 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.538 -0.755 . . . . 25.0 111.298 -177.248 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 542' ' ' PHE . . . . . 0.561 ' HB2' ' O ' ' B' ' 538' ' ' ALA . 50.4 t80 -69.65 -17.73 63.52 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 111.861 0.319 . . . . 25.0 111.861 -176.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 543' ' ' SER . . . . . . . . . . . . . 91.4 p -81.23 -40.0 24.48 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.417 0.448 . . . . 25.0 112.148 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 544' ' ' ALA . . . . . . . . . . . . . . . -84.82 -21.96 29.66 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.364 -0.38 . . . . 25.0 111.329 176.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.651 HD21 ' N ' ' A' ' 625' ' ' MET . 33.5 mt -85.49 -24.98 27.13 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.436 -0.802 . . . . 25.0 112.23 -176.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 546' ' ' LEU . . . . . . . . . . . . . 66.5 tp -87.65 -18.22 30.09 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 117.924 0.329 . . . . 25.0 111.461 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 547' ' ' SER . . . . . . . . . . . . . 96.8 p -75.6 -16.13 60.27 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.039 0.535 . . . . 25.0 112.097 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -76.64 -11.29 59.83 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . . . . . . . . . 43.1 mm -95.54 -31.94 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.603 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 550' ' ' SER . . . . . . . . . . . . . 76.4 p -93.6 -37.86 11.65 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.273 0.358 . . . . 25.0 111.56 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 551' ' ' SER . . . . . . . . . . . . . 39.0 m . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.748 -0.644 . . . . 25.0 110.893 179.703 . . . . . . . . 0 0 . 1 stop_ save_